prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate
TL;DR: prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate (CAS 288247-10-9) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl N-(6-chloro-3-pyridinyl)carbamate
Also Known As: prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate, 2-Propynyl 6-chloro-3-pyridinylcarbamate #, prop-2-yn-1-yl N-(6-chloropyridin-3-yl)carbamate, Carbamic acid, N-(6-chloro-3-pyridyl)-, 2-propynyl ester
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 288247-10-9 |
|---|---|
| SMILES | C#CCOC(=O)NC1=CN=C(C=C1)Cl |
| InChIKey | BTXBLLYCHJKCDA-UHFFFAOYSA-N |
Product Overview
prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate (CAS 288247-10-9), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: prop-2-ynyl N-(6-chloro-3-pyridinyl)carbamate.
Chemical Property Profile of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate
Property Insights of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate. With a topological polar surface area (TPSA) of 51.2 Ų, prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, prop-2-ynyl N-(6-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 prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate?
The CAS number of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate is 288247-10-9.
What is the molecular formula of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate?
The molecular formula of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate is C9H7ClN2O2.
What is the molecular weight of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate?
The molecular weight of prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate is 210.02 g/mol.
Where can I buy prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate?
You can request a quote for prop-2-ynyl N-(6-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 prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-ynyl N-(6-chloropyridin-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.