2,3-Dichloro-1,3-butadiene
TL;DR: 2,3-Dichloro-1,3-butadiene (CAS 1653-19-6) 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.
2,3-dichlorobuta-1,3-diene
Also Known As: 2,3-Dichloro-1,3-butadiene, 2,3-Dichlorobutadiene, 2,3-DICHLOROBUTA-1,3-DIENE, 2,3-Dichlor-1,3-butadien, 1,3-Butadiene, 2,3-dichloro-
| Molecular Formula | C4H4Cl2 |
|---|---|
| Molecular Weight | 121.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.969 |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 1653-19-6 |
|---|---|
| SMILES | C=C(C(=C)Cl)Cl |
| InChIKey | LIFLRQVHKGGNSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloro-1,3-butadiene (CAS 1653-19-6), with molecular formula C4H4Cl2 and molecular weight 121.97 g/mol. IUPAC: 2,3-dichlorobuta-1,3-diene.
Chemical Property Profile of 2,3-Dichloro-1,3-butadiene
Property Insights of 2,3-Dichloro-1,3-butadiene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-1,3-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-Dichloro-1,3-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloro-1,3-butadiene 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 2,3-Dichloro-1,3-butadiene?
The CAS number of 2,3-Dichloro-1,3-butadiene is 1653-19-6.
What is the molecular formula of 2,3-Dichloro-1,3-butadiene?
The molecular formula of 2,3-Dichloro-1,3-butadiene is C4H4Cl2.
What is the molecular weight of 2,3-Dichloro-1,3-butadiene?
The molecular weight of 2,3-Dichloro-1,3-butadiene is 121.97 g/mol.
Where can I buy 2,3-Dichloro-1,3-butadiene?
You can request a quote for 2,3-Dichloro-1,3-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloro-1,3-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.