1,1,4-Trichloro-1,2-butadiene
TL;DR: 1,1,4-Trichloro-1,2-butadiene (CAS 58679-08-6) 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.
1,1,4-trichlorobuta-1,2-diene
Also Known As: 1,1,4-TRICHLORO-1,2-BUTADIENE, 1,1,4-trichlorobuta-1,2-diene, 1,1,4-Trichloro-1,2-butadiene #, 1,2-Butadiene, 1,1,4-trichloro-, J1.621.267I
| Molecular Formula | C4H3Cl3 |
|---|---|
| Molecular Weight | 155.93 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.93004 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 58679-08-6 |
|---|---|
| SMILES | C(C=C=C(Cl)Cl)Cl |
| InChIKey | ZWIQJGKTLUMQPD-UHFFFAOYSA-N |
Product Overview
1,1,4-Trichloro-1,2-butadiene (CAS 58679-08-6), with molecular formula C4H3Cl3 and molecular weight 155.93 g/mol. IUPAC: 1,1,4-trichlorobuta-1,2-diene.
Chemical Property Profile of 1,1,4-Trichloro-1,2-butadiene
Property Insights of 1,1,4-Trichloro-1,2-butadiene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,4-Trichloro-1,2-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,4-Trichloro-1,2-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4-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 1,1,4-Trichloro-1,2-butadiene?
The CAS number of 1,1,4-Trichloro-1,2-butadiene is 58679-08-6.
What is the molecular formula of 1,1,4-Trichloro-1,2-butadiene?
The molecular formula of 1,1,4-Trichloro-1,2-butadiene is C4H3Cl3.
What is the molecular weight of 1,1,4-Trichloro-1,2-butadiene?
The molecular weight of 1,1,4-Trichloro-1,2-butadiene is 155.93 g/mol.
Where can I buy 1,1,4-Trichloro-1,2-butadiene?
You can request a quote for 1,1,4-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 1,1,4-Trichloro-1,2-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4-Trichloro-1,2-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.