Dichloro-1,3-butadiene
TL;DR: Dichloro-1,3-butadiene (CAS 28577-62-0) 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.
1,1-dichlorobuta-1,3-diene
Also Known As: Dichlorobutadiene, 1,1-Dichlorobuta-1,3-diene, Dichlorobuta-1,3-diene, DCBD, 1,3-Dichlorobutadiene
| Molecular Formula | C4H4Cl2 |
|---|---|
| Molecular Weight | 121.97 g/mol |
| LogP | 3.0 |
| 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 | 69.0 |
Chemical Identifiers
| CAS Number | 28577-62-0 |
|---|---|
| SMILES | C=CC=C(Cl)Cl |
| InChIKey | PDKAXHLOFWCWIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloro-1,3-butadiene (CAS 28577-62-0), with molecular formula C4H4Cl2 and molecular weight 121.97 g/mol. IUPAC: 1,1-dichlorobuta-1,3-diene.
Chemical Property Profile of Dichloro-1,3-butadiene
Property Insights of Dichloro-1,3-butadiene
The XLogP value of 3.0 indicates that Dichloro-1,3-butadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dichloro-1,3-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Dichloro-1,3-butadiene?
The CAS number of Dichloro-1,3-butadiene is 28577-62-0.
What is the molecular formula of Dichloro-1,3-butadiene?
The molecular formula of Dichloro-1,3-butadiene is C4H4Cl2.
What is the molecular weight of Dichloro-1,3-butadiene?
The molecular weight of Dichloro-1,3-butadiene is 121.97 g/mol.
Where can I buy Dichloro-1,3-butadiene?
You can request a quote for 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 Dichloro-1,3-butadiene?
Yes, KEHONG BIO provides custom synthesis services for Dichloro-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.