1,4-Dichlorobuta-1,3-diene
TL;DR: 1,4-Dichlorobuta-1,3-diene (CAS 3588-13-4) 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-dichlorobuta-1,3-diene
Also Known As: 1,4-dichlorobuta-1,3-diene, 1,4-DICHLORO-1,3-BUTADIENE, 1,3-Butadiene, 1,4-dichloro-, (E,E)-, (1E,3Z)-1,4-Dichlorobuta-1,3-diene, 1,3-Butadiene, 1,4-dichloro-, (E,Z)-
| Molecular Formula | C4H4Cl2 |
|---|---|
| Molecular Weight | 121.97 g/mol |
| LogP | 2.4 |
| 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 | 53.0 |
Chemical Identifiers
| CAS Number | 3588-13-4 |
|---|---|
| SMILES | C(=CCl)C=CCl |
| InChIKey | LDZSRRMBFGBOAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichlorobuta-1,3-diene (CAS 3588-13-4), with molecular formula C4H4Cl2 and molecular weight 121.97 g/mol. IUPAC: 1,4-dichlorobuta-1,3-diene.
Chemical Property Profile of 1,4-Dichlorobuta-1,3-diene
Property Insights of 1,4-Dichlorobuta-1,3-diene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichlorobuta-1,3-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichlorobuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobuta-1,3-diene 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-Dichlorobuta-1,3-diene?
The CAS number of 1,4-Dichlorobuta-1,3-diene is 3588-13-4.
What is the molecular formula of 1,4-Dichlorobuta-1,3-diene?
The molecular formula of 1,4-Dichlorobuta-1,3-diene is C4H4Cl2.
What is the molecular weight of 1,4-Dichlorobuta-1,3-diene?
The molecular weight of 1,4-Dichlorobuta-1,3-diene is 121.97 g/mol.
Where can I buy 1,4-Dichlorobuta-1,3-diene?
You can request a quote for 1,4-Dichlorobuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichlorobuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichlorobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.