(2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester
TL;DR: (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester (CAS 6798-34-1) is a chemical compound with molecular formula C10H10Cl3NO3 and molecular weight 296.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: benzyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate, J1.195.790K, Benzyl 2,2,2-trichloro-1-hydroxyethylcarbamate #, N-(1-Hydroxy-2,2,2-trichloroethyl)benzyl urethane, (1-Hydroxy-2,2,2-trichloroethyl)carbamic acid benzyl ester
| Molecular Formula | C10H10Cl3NO3 |
|---|---|
| Molecular Weight | 296.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.97263 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 6798-34-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)O |
| InChIKey | OXSIKFBFTKXYFA-UHFFFAOYSA-N |
Product Overview
(2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester (CAS 6798-34-1), with molecular formula C10H10Cl3NO3 and molecular weight 296.97 g/mol. IUPAC: benzyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester
Property Insights of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl 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
Frequently Asked Questions
What is the CAS number of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester?
The CAS number of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester is 6798-34-1.
What is the molecular formula of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester?
The molecular formula of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester is C10H10Cl3NO3.
What is the molecular weight of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester?
The molecular weight of (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester is 296.97 g/mol.
Where can I buy (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester?
You can request a quote for (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2,2,2-Trichloro-1-hydroxy-ethyl)-carbamic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.