Methyl (2-chloropyridin-3-yl)carbamate
TL;DR: Methyl (2-chloropyridin-3-yl)carbamate (CAS 545359-44-2) is a chemical compound with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-chloro-3-pyridinyl)carbamate
Also Known As: Methyl N-(2-chloropyridin-3-yl)carbamate, methyl (2-chloropyridin-3-yl)carbamate
| Molecular Formula | C7H7ClN2O2 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 1.9133 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.0196 |
| Heavy Atoms | 12 |
| Complexity | 290.4898 |
Chemical Identifiers
| CAS Number | 545359-44-2 |
|---|---|
| SMILES | COC(=O)NC1=C(N=CC=C1)Cl |
Product Overview
Methyl (2-chloropyridin-3-yl)carbamate (CAS 545359-44-2), with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol. IUPAC: methyl N-(2-chloro-3-pyridinyl)carbamate.
Chemical Property Profile of Methyl (2-chloropyridin-3-yl)carbamate
Property Insights of Methyl (2-chloropyridin-3-yl)carbamate
The XLogP value of 1.9133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-chloropyridin-3-yl)carbamate. With a topological polar surface area (TPSA) of 51.22 Ų, Methyl (2-chloropyridin-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2-chloropyridin-3-yl)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 (2-chloropyridin-3-yl)carbamate?
The CAS number of Methyl (2-chloropyridin-3-yl)carbamate is 545359-44-2.
What is the molecular formula of Methyl (2-chloropyridin-3-yl)carbamate?
The molecular formula of Methyl (2-chloropyridin-3-yl)carbamate is C7H7ClN2O2.
What is the molecular weight of Methyl (2-chloropyridin-3-yl)carbamate?
The molecular weight of Methyl (2-chloropyridin-3-yl)carbamate is 186.02 g/mol.
Where can I buy Methyl (2-chloropyridin-3-yl)carbamate?
You can request a quote for Methyl (2-chloropyridin-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-chloropyridin-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-chloropyridin-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.