(2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester
TL;DR: (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester (CAS 55158-91-3) is a chemical compound with molecular formula C11H12Cl3NO3 and molecular weight 310.98828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-(2,2,3-trichloro-1-hydroxy-3-phenylpropyl)carbamate
Also Known As: BAS 00103098, (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester, methyl N-(2,2,3-trichloro-1-hydroxy-3-phenylpropyl)carbamate, 667-036-2
Technical Specifications
| Molecular Formula | C11H12Cl3NO3 |
| Molecular Weight | 310.98828 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.98828 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | COC(=O)NC(C(C(C1=CC=CC=C1)Cl)(Cl)Cl)O |
| InChIKey | JWPSPSHAERZDKC-UHFFFAOYSA-N |
Chemical Property Profile of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester
Property Insights of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester?
The CAS number of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester is 55158-91-3.
What is the molecular formula of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester?
The molecular formula of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester is C11H12Cl3NO3.
What is the molecular weight of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester?
The molecular weight of (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester is 310.98828 g/mol.
Where can I buy (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester?
You can request a quote for (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for (2,2,3-Trichloro-1-hydroxy-3-phenyl-propyl)-carbamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.