4,4,4-Trichloro-1,2-butadiene
TL;DR: 4,4,4-Trichloro-1,2-butadiene (CAS 34819-62-0) is a chemical compound with molecular formula C4H3Cl3 and molecular weight 155.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichlorobuta-1,2-diene
Also Known As: 4,4,4-TRICHLORO-1,2-BUTADIENE, 4,4,4-trichlorobuta-1,2-diene, 4,4,4-trichloro-buta-1,2-diene, J1.617.996E
| Molecular Formula | C4H3Cl3 |
|---|---|
| Molecular Weight | 155.93 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.93004 |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 34819-62-0 |
|---|---|
| SMILES | C=C=CC(Cl)(Cl)Cl |
| InChIKey | KHDBCNPJIMEGBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trichloro-1,2-butadiene (CAS 34819-62-0), with molecular formula C4H3Cl3 and molecular weight 155.93 g/mol. IUPAC: 4,4,4-trichlorobuta-1,2-diene.
Chemical Property Profile of 4,4,4-Trichloro-1,2-butadiene
Property Insights of 4,4,4-Trichloro-1,2-butadiene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trichloro-1,2-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 4,4,4-Trichloro-1,2-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trichloro-1,2-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 4,4,4-Trichloro-1,2-butadiene?
The CAS number of 4,4,4-Trichloro-1,2-butadiene is 34819-62-0.
What is the molecular formula of 4,4,4-Trichloro-1,2-butadiene?
The molecular formula of 4,4,4-Trichloro-1,2-butadiene is C4H3Cl3.
What is the molecular weight of 4,4,4-Trichloro-1,2-butadiene?
The molecular weight of 4,4,4-Trichloro-1,2-butadiene is 155.93 g/mol.
Where can I buy 4,4,4-Trichloro-1,2-butadiene?
You can request a quote for 4,4,4-Trichloro-1,2-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trichloro-1,2-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-1,2-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.