methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
TL;DR: methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 41368-71-2) is a chemical compound with molecular formula C4H6Cl3NO3 and molecular weight 220.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate, methyl (2,2,2-trichloro-1-hydroxyethyl)carbamate, methyl 2,2,2-trichloro-1-hydroxyethylcarbamate, methoxy-N-(2,2,2-trichloro-1-hydroxyethyl)carboxamide, (2,2,2-trichloro-1-hydroxy-ethyl)-carbamic acid methyl ester
| Molecular Formula | C4H6Cl3NO3 |
|---|---|
| Molecular Weight | 220.94 g/mol |
| LogP | 1.031 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.94133 |
| Heavy Atoms | 11 |
| Complexity | 146.00793 |
Chemical Identifiers
| CAS Number | 41368-71-2 |
|---|---|
| SMILES | COC(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 41368-71-2), with molecular formula C4H6Cl3NO3 and molecular weight 220.94 g/mol. IUPAC: methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Property Insights of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
The XLogP value of 1.031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate. With a topological polar surface area (TPSA) of 58.56 Ų, methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate 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 methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The CAS number of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 41368-71-2.
What is the molecular formula of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular formula of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is C4H6Cl3NO3.
What is the molecular weight of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular weight of methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 220.94 g/mol.
Where can I buy methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
You can request a quote for methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.