4-Chlorobut-2-ynyl carbamate
TL;DR: 4-Chlorobut-2-ynyl carbamate (CAS 4836-77-5) is a chemical compound with molecular formula C5H6ClNO2 and molecular weight 147.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-ynyl carbamate
Also Known As: 4-chlorobut-2-ynyl carbamate, 4-Chlorobut-2-yn-1-yl carbamate, carbamic acid-(4-chloro-but-2-ynyl ester)
| Molecular Formula | C5H6ClNO2 |
|---|---|
| Molecular Weight | 147.01 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.00871 |
| Heavy Atoms | 9 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4836-77-5 |
|---|---|
| SMILES | C(C#CCCl)OC(=O)N |
| InChIKey | HXULXSSIDFEVHI-UHFFFAOYSA-N |
Product Overview
4-Chlorobut-2-ynyl carbamate (CAS 4836-77-5), with molecular formula C5H6ClNO2 and molecular weight 147.01 g/mol. IUPAC: 4-chlorobut-2-ynyl carbamate.
Chemical Property Profile of 4-Chlorobut-2-ynyl carbamate
Property Insights of 4-Chlorobut-2-ynyl carbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobut-2-ynyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Chlorobut-2-ynyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobut-2-ynyl 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 4-Chlorobut-2-ynyl carbamate?
The CAS number of 4-Chlorobut-2-ynyl carbamate is 4836-77-5.
What is the molecular formula of 4-Chlorobut-2-ynyl carbamate?
The molecular formula of 4-Chlorobut-2-ynyl carbamate is C5H6ClNO2.
What is the molecular weight of 4-Chlorobut-2-ynyl carbamate?
The molecular weight of 4-Chlorobut-2-ynyl carbamate is 147.01 g/mol.
Where can I buy 4-Chlorobut-2-ynyl carbamate?
You can request a quote for 4-Chlorobut-2-ynyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobut-2-ynyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobut-2-ynyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.