RefChem:267902
TL;DR: RefChem:267902 (CAS 16327-90-5) is a chemical compound with molecular formula C23H26ClN3O6 and molecular weight 475.151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Butanedioic acid, mono(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) ester, compd. with 2-(dimethylamino)ethanol (1:1)
4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid;2-(dimethylamino)ethanol
Also Known As: SAS 546, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hemisuccinyloxy-5-phenyl-, dimethylaminoethanol salt, Butanedioic acid, mono(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) ester, compd. with 2-(dimethylamino)ethanol (1:1), 4-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid; 2-(dimethylamino)ethanol, 4-[(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid- 2-(dimethylamino)ethanol(1:1)
Technical Specifications
| Molecular Formula | C23H26ClN3O6 |
| Molecular Weight | 475.151 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.151 Da |
| Heavy Atoms | 33 |
| Complexity | 646.0 |
| SMILES | CN(C)CCO.C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)CCC(=O)O |
| InChIKey | ZJTPFHZTXXPMGV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:267902
Property Insights of RefChem:267902
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:267902. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267902. Following Lipinski's Rule of Five, RefChem:267902 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:267902?
The CAS number of RefChem:267902 is 16327-90-5.
What is the molecular formula of RefChem:267902?
The molecular formula of RefChem:267902 is C23H26ClN3O6.
What is the molecular weight of RefChem:267902?
The molecular weight of RefChem:267902 is 475.151 g/mol.
Where can I buy RefChem:267902?
You can request a quote for RefChem:267902 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:267902?
Yes, CoreyChem provides custom synthesis services for RefChem:267902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.