Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester
TL;DR: Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester (CAS 56247-86-0) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynyl N-(3-chlorophenyl)carbamate
Also Known As: 3-Butynyl 3-chlorophenylcarbamate, 3-Butynyl 3-chlorophenylcarbamate #, but-3-ynyl N-(3-chlorophenyl)carbamate, (3-Chlorophenyl)carbamic acid 3-butynyl ester, but-3-yn-1-yl N-(3-chlorophenyl)carbamate
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 56247-86-0 |
|---|---|
| SMILES | C#CCCOC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | CRLGDEAYHVPTLP-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester (CAS 56247-86-0), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: but-3-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester
Property Insights of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester
The XLogP value of 3.2 indicates that Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester 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 Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester?
The CAS number of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester is 56247-86-0.
What is the molecular formula of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester?
The molecular formula of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester is C11H10ClNO2.
What is the molecular weight of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester?
The molecular weight of Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester is 223.04 g/mol.
Where can I buy Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester?
You can request a quote for Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-chlorophenyl)-, 3-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.