4-Chlorobut-2-yn-1-amine
TL;DR: 4-Chlorobut-2-yn-1-amine (CAS 87876-05-9) is a chemical compound with molecular formula C4H6ClN and molecular weight 103.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-yn-1-amine
Also Known As: 4-chlorobut-2-yn-1-amine, starbld0004860, 4-Chloro-2-butyne-1-amine, (4-chloro-2-butyn-1-yl)amine, J2.476.332C
| Molecular Formula | C4H6ClN |
|---|---|
| Molecular Weight | 103.02 g/mol |
| LogP | 0.1873 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.018875 |
| Heavy Atoms | 6 |
| Complexity | 61.352608 |
Chemical Identifiers
| CAS Number | 87876-05-9 |
|---|---|
| SMILES | C(C#CCCl)N |
Product Overview
4-Chlorobut-2-yn-1-amine (CAS 87876-05-9), with molecular formula C4H6ClN and molecular weight 103.02 g/mol. IUPAC: 4-chlorobut-2-yn-1-amine.
Chemical Property Profile of 4-Chlorobut-2-yn-1-amine
Property Insights of 4-Chlorobut-2-yn-1-amine
The XLogP value of 0.1873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobut-2-yn-1-amine. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Chlorobut-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobut-2-yn-1-amine has 1 hydrogen bond donor(s) and 1 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-yn-1-amine?
The CAS number of 4-Chlorobut-2-yn-1-amine is 87876-05-9.
What is the molecular formula of 4-Chlorobut-2-yn-1-amine?
The molecular formula of 4-Chlorobut-2-yn-1-amine is C4H6ClN.
What is the molecular weight of 4-Chlorobut-2-yn-1-amine?
The molecular weight of 4-Chlorobut-2-yn-1-amine is 103.02 g/mol.
Where can I buy 4-Chlorobut-2-yn-1-amine?
You can request a quote for 4-Chlorobut-2-yn-1-amine 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-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobut-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.