prop-2-ynyl N-(3-chlorophenyl)carbamate
TL;DR: prop-2-ynyl N-(3-chlorophenyl)carbamate (CAS 3004-45-3) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: prop-2-ynyl N-(3-chlorophenyl)carbamate, 2-propyn-1-yl (3-chlorophenyl)carbamate, Prop-2-yn-1-yl (3-chlorophenyl)carbamate, N-(3-chlorophenyl)prop-2-ynyloxycarboxamide, PROP-2-YN-1-YL N-(3-CHLOROPHENYL)CARBAMATE
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3004-45-3 |
|---|---|
| SMILES | C#CCOC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | ZKZLBLNPQRHCKR-UHFFFAOYSA-N |
Product Overview
prop-2-ynyl N-(3-chlorophenyl)carbamate (CAS 3004-45-3), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: prop-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of prop-2-ynyl N-(3-chlorophenyl)carbamate
Property Insights of prop-2-ynyl N-(3-chlorophenyl)carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for prop-2-ynyl N-(3-chlorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, prop-2-ynyl N-(3-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, prop-2-ynyl N-(3-chlorophenyl)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 prop-2-ynyl N-(3-chlorophenyl)carbamate?
The CAS number of prop-2-ynyl N-(3-chlorophenyl)carbamate is 3004-45-3.
What is the molecular formula of prop-2-ynyl N-(3-chlorophenyl)carbamate?
The molecular formula of prop-2-ynyl N-(3-chlorophenyl)carbamate is C10H8ClNO2.
What is the molecular weight of prop-2-ynyl N-(3-chlorophenyl)carbamate?
The molecular weight of prop-2-ynyl N-(3-chlorophenyl)carbamate is 209.02 g/mol.
Where can I buy prop-2-ynyl N-(3-chlorophenyl)carbamate?
You can request a quote for prop-2-ynyl N-(3-chlorophenyl)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-(3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-ynyl N-(3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.