1,4-Dichloro-2-butyne
TL;DR: 1,4-Dichloro-2-butyne (CAS 821-10-3) is a chemical compound with molecular formula C4H4Cl2 and molecular weight 121.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichlorobut-2-yne
Also Known As: 1,4-Dichlorobut-2-yne, 1,4-DICHLORO-2-BUTYNE, 2-Butyne, 1,4-dichloro-, 1,4-Dichlorobutyne, dichlorobutyne
| Molecular Formula | C4H4Cl2 |
|---|---|
| Molecular Weight | 121.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.969 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
| Vapor Pressure | 1.86 [mmHg] |
Chemical Identifiers
| CAS Number | 821-10-3 |
|---|---|
| SMILES | C(C#CCCl)Cl |
| InChIKey | RCHDLEVSZBOHOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichloro-2-butyne (CAS 821-10-3), with molecular formula C4H4Cl2 and molecular weight 121.97 g/mol. IUPAC: 1,4-dichlorobut-2-yne.
Chemical Property Profile of 1,4-Dichloro-2-butyne
Property Insights of 1,4-Dichloro-2-butyne
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichloro-2-butyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichloro-2-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichloro-2-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 1,4-Dichloro-2-butyne?
The CAS number of 1,4-Dichloro-2-butyne is 821-10-3.
What is the molecular formula of 1,4-Dichloro-2-butyne?
The molecular formula of 1,4-Dichloro-2-butyne is C4H4Cl2.
What is the molecular weight of 1,4-Dichloro-2-butyne?
The molecular weight of 1,4-Dichloro-2-butyne is 121.97 g/mol.
Where can I buy 1,4-Dichloro-2-butyne?
You can request a quote for 1,4-Dichloro-2-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichloro-2-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichloro-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.