DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)
TL;DR: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) (CAS 60557-51-9) is a chemical compound with molecular formula C20H33Cl2N3O5 and molecular weight 465.17972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-aminoethanol;(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(butan-2-yloxycarbonylamino)propanoic acid
Also Known As: DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1), 2-aminoethanol; (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(butan-2-yloxycarbonylamino)propanoic acid, 4-[Bis(2-chloroethyl)amino]-N-{[(butan-2-yl)oxy](hydroxy)methylidene}-L-phenylalanine--2-aminoethan-1-ol (1/1), 4-[Bis(2-chloroethyl)amino]-N-{[(butan-2-yl)oxy](hydroxy)methylidene}phenylalanine--2-aminoethan-1-ol (1/1)
Technical Specifications
| Molecular Formula | C20H33Cl2N3O5 |
| Molecular Weight | 465.17972 g/mol |
| XLogP | 2.4284 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 465.17972 Da |
| Heavy Atoms | 30 |
| Complexity | 435.0 |
| SMILES | CCC(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O.C(CO)N |
| InChIKey | QSVGPKFALQTMOK-GPPWNDLUSA-N |
Chemical Property Profile of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)
Property Insights of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)
The XLogP value of 2.4284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1). The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)?
The CAS number of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) is 60557-51-9.
What is the molecular formula of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)?
The molecular formula of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) is C20H33Cl2N3O5.
What is the molecular weight of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)?
The molecular weight of DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) is 465.17972 g/mol.
Where can I buy DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)?
You can request a quote for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1)?
Yes, CoreyChem provides custom synthesis services for DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-((1-methylpropoxy)carbonyl)-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.