methyl N-(2-chloroacetyl)carbamate
TL;DR: methyl N-(2-chloroacetyl)carbamate (CAS 13558-70-8) is a chemical compound with molecular formula C4H6ClNO3 and molecular weight 151.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-chloroacetyl)carbamate
Also Known As: methyl N-(2-chloroacetyl)carbamate, Methyl (2-chloroacetyl)carbamate, Methyl chloroacetylcarbamate, methylchloroacetylcarbamate, methyl (chloroacetyl)carbamate
| Molecular Formula | C4H6ClNO3 |
|---|---|
| Molecular Weight | 151.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.00362 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 13558-70-8 |
|---|---|
| SMILES | COC(=O)NC(=O)CCl |
| InChIKey | SYWSERLZKPGKDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N-(2-chloroacetyl)carbamate (CAS 13558-70-8), with molecular formula C4H6ClNO3 and molecular weight 151.00 g/mol. IUPAC: methyl N-(2-chloroacetyl)carbamate.
Chemical Property Profile of methyl N-(2-chloroacetyl)carbamate
Property Insights of methyl N-(2-chloroacetyl)carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2-chloroacetyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl N-(2-chloroacetyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(2-chloroacetyl)carbamate has 1 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-chloroacetyl)carbamate?
The CAS number of methyl N-(2-chloroacetyl)carbamate is 13558-70-8.
What is the molecular formula of methyl N-(2-chloroacetyl)carbamate?
The molecular formula of methyl N-(2-chloroacetyl)carbamate is C4H6ClNO3.
What is the molecular weight of methyl N-(2-chloroacetyl)carbamate?
The molecular weight of methyl N-(2-chloroacetyl)carbamate is 151.00 g/mol.
Where can I buy methyl N-(2-chloroacetyl)carbamate?
You can request a quote for methyl N-(2-chloroacetyl)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-chloroacetyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2-chloroacetyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.