methyl N,N-bis(2-chloroethyl)carbamate
TL;DR: methyl N,N-bis(2-chloroethyl)carbamate (CAS 35875-89-9) is a chemical compound with molecular formula C6H11Cl2NO2 and molecular weight 199.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-bis(2-chloroethyl)carbamate
Also Known As: methyl N,N-bis(2-chloroethyl)carbamate, Methyl bis(2-chloroethyl)carbamate, Bis-<2-chlor-ethyl>-carbamidsaeure-methylester, bis-(2-chloro-ethyl)-carbamic acid methyl ester, N,N-bis-(2-chloroethyl)-carbamic acid methyl ester
| Molecular Formula | C6H11Cl2NO2 |
|---|---|
| Molecular Weight | 199.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.01668 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 35875-89-9 |
|---|---|
| SMILES | COC(=O)N(CCCl)CCCl |
| InChIKey | BCQUWJXVBOGPCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N,N-bis(2-chloroethyl)carbamate (CAS 35875-89-9), with molecular formula C6H11Cl2NO2 and molecular weight 199.02 g/mol. IUPAC: methyl N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of methyl N,N-bis(2-chloroethyl)carbamate
Property Insights of methyl N,N-bis(2-chloroethyl)carbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N,N-bis(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 29.5 Ų, methyl N,N-bis(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N,N-bis(2-chloroethyl)carbamate has 0 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,N-bis(2-chloroethyl)carbamate?
The CAS number of methyl N,N-bis(2-chloroethyl)carbamate is 35875-89-9.
What is the molecular formula of methyl N,N-bis(2-chloroethyl)carbamate?
The molecular formula of methyl N,N-bis(2-chloroethyl)carbamate is C6H11Cl2NO2.
What is the molecular weight of methyl N,N-bis(2-chloroethyl)carbamate?
The molecular weight of methyl N,N-bis(2-chloroethyl)carbamate is 199.02 g/mol.
Where can I buy methyl N,N-bis(2-chloroethyl)carbamate?
You can request a quote for methyl N,N-bis(2-chloroethyl)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,N-bis(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N,N-bis(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.