1-Chloro-1,3-butadiyne
TL;DR: 1-Chloro-1,3-butadiyne (CAS 6089-44-7) is a chemical compound with molecular formula C4HCl and molecular weight 83.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobuta-1,3-diyne
Also Known As: chlorobutadiyne, 1-Chloro-1,3-butadiyne, Butylphenylurea, chlorodiacetylene, 1-chlorobuta-1,3-diyne
| Molecular Formula | C4HCl |
|---|---|
| Molecular Weight | 83.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.97668 |
| Heavy Atoms | 5 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6089-44-7 |
|---|---|
| SMILES | C#CC#CCl |
| InChIKey | ZKDGPGUPUPETAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1,3-butadiyne (CAS 6089-44-7), with molecular formula C4HCl and molecular weight 83.98 g/mol. IUPAC: 1-chlorobuta-1,3-diyne.
Chemical Property Profile of 1-Chloro-1,3-butadiyne
Property Insights of 1-Chloro-1,3-butadiyne
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,3-butadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1,3-butadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,3-butadiyne has 0 hydrogen bond donor(s) and 0 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 1-Chloro-1,3-butadiyne?
The CAS number of 1-Chloro-1,3-butadiyne is 6089-44-7.
What is the molecular formula of 1-Chloro-1,3-butadiyne?
The molecular formula of 1-Chloro-1,3-butadiyne is C4HCl.
What is the molecular weight of 1-Chloro-1,3-butadiyne?
The molecular weight of 1-Chloro-1,3-butadiyne is 83.98 g/mol.
Where can I buy 1-Chloro-1,3-butadiyne?
You can request a quote for 1-Chloro-1,3-butadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,3-butadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,3-butadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.