2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate
TL;DR: 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate (CAS 32730-55-5) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate
Also Known As: Carbanilic acid,2-propynyl ester, 3-(4-chloro-phenylcarbamoyloxy)-3-methyl-but-1-yne, 2-methylbut-3-yn-2-yl(4-chlorophenyl)carbamate, 2-Methylbut-3-yn-2-yl (4-chlorophenyl)carbamate, 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 32730-55-5 |
|---|---|
| SMILES | CC(C)(C#C)OC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | JDCYLDGYWWSQPS-UHFFFAOYSA-N |
Product Overview
2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate (CAS 32730-55-5), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate
Property Insights of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylbut-3-yn-2-yl N-(4-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 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate?
The CAS number of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate is 32730-55-5.
What is the molecular formula of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate?
The molecular formula of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate is C12H12ClNO2.
What is the molecular weight of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate?
The molecular weight of 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate is 237.06 g/mol.
Where can I buy 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate?
You can request a quote for 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylbut-3-yn-2-yl N-(4-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.