Methyl N-(1,2,2,2-tetrachloroethyl)carbamate
TL;DR: Methyl N-(1,2,2,2-tetrachloroethyl)carbamate (CAS 3659-10-7) is a chemical compound with molecular formula C4H5Cl4NO2 and molecular weight 238.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,2,2,2-tetrachloroethyl)carbamate
Also Known As: Methyl N-(1,2,2,2-tetrachloroethyl)carbamate, Methyl (1,2,2,2-tetrachloroethyl)carbamate, methoxy-N-(1,2,2,2-tetrachloroethyl)carboxamide, Carbamic acid, (1,2,2,2-tetrachloroethyl)-, methyl ester, RefChem:381770
| Molecular Formula | C4H5Cl4NO2 |
|---|---|
| Molecular Weight | 238.91 g/mol |
| LogP | 2.2775 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.90744 |
| Heavy Atoms | 11 |
| Complexity | 145.51772 |
Chemical Identifiers
| CAS Number | 3659-10-7 |
|---|---|
| SMILES | COC(=O)NC(C(Cl)(Cl)Cl)Cl |
Product Overview
Methyl N-(1,2,2,2-tetrachloroethyl)carbamate (CAS 3659-10-7), with molecular formula C4H5Cl4NO2 and molecular weight 238.91 g/mol. IUPAC: methyl N-(1,2,2,2-tetrachloroethyl)carbamate.
Chemical Property Profile of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate
Property Insights of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate
The XLogP value of 2.2775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(1,2,2,2-tetrachloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl N-(1,2,2,2-tetrachloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(1,2,2,2-tetrachloroethyl)carbamate has 1 hydrogen bond donor(s) and 2 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-(1,2,2,2-tetrachloroethyl)carbamate?
The CAS number of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate is 3659-10-7.
What is the molecular formula of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate?
The molecular formula of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate is C4H5Cl4NO2.
What is the molecular weight of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate?
The molecular weight of Methyl N-(1,2,2,2-tetrachloroethyl)carbamate is 238.91 g/mol.
Where can I buy Methyl N-(1,2,2,2-tetrachloroethyl)carbamate?
You can request a quote for Methyl N-(1,2,2,2-tetrachloroethyl)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-(1,2,2,2-tetrachloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(1,2,2,2-tetrachloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.