4-Chloro-1-butyne
TL;DR: 4-Chloro-1-butyne (CAS 51908-64-6) is a chemical compound with molecular formula C4H5Cl and molecular weight 88.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-1-yne
Also Known As: 4-chlorobut-1-yne, 4-CHLORO-1-BUTYNE, 4-chloro-but-1-yne, 1-Butyne, 4-chloro-, 4-Chloro-1-Butyne, 99%
| Molecular Formula | C4H5Cl |
|---|---|
| Molecular Weight | 88.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.00798 |
| Heavy Atoms | 5 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 51908-64-6 |
|---|---|
| SMILES | C#CCCCl |
| InChIKey | SCALDUUTBUBDKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-butyne (CAS 51908-64-6), with molecular formula C4H5Cl and molecular weight 88.01 g/mol. IUPAC: 4-chlorobut-1-yne.
Chemical Property Profile of 4-Chloro-1-butyne
Property Insights of 4-Chloro-1-butyne
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-butyne. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-butyne 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 4-Chloro-1-butyne?
The CAS number of 4-Chloro-1-butyne is 51908-64-6.
What is the molecular formula of 4-Chloro-1-butyne?
The molecular formula of 4-Chloro-1-butyne is C4H5Cl.
What is the molecular weight of 4-Chloro-1-butyne?
The molecular weight of 4-Chloro-1-butyne is 88.01 g/mol.
Where can I buy 4-Chloro-1-butyne?
You can request a quote for 4-Chloro-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.