3,4,4-Trichloro-3-butenoic acid
TL;DR: 3,4,4-Trichloro-3-butenoic acid (CAS 5593-85-1) is a chemical compound with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-trichlorobut-3-enoic acid
Also Known As: 3,4,4-trichloro-3-butenoic acid, 3,4,4-trichlorobut-3-enoic Acid, 3,4,4-Trichlor-3-butensaeure, 3-Butenoic acid, 3,4,4-trichloro-
| Molecular Formula | C4H3Cl3O2 |
|---|---|
| Molecular Weight | 187.92 g/mol |
| LogP | 2.3466 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.91986 |
| Heavy Atoms | 9 |
| Complexity | 147.89174 |
Chemical Identifiers
| CAS Number | 5593-85-1 |
|---|---|
| SMILES | C(C(=C(Cl)Cl)Cl)C(=O)O |
Product Overview
3,4,4-Trichloro-3-butenoic acid (CAS 5593-85-1), with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol. IUPAC: 3,4,4-trichlorobut-3-enoic acid.
Chemical Property Profile of 3,4,4-Trichloro-3-butenoic acid
Property Insights of 3,4,4-Trichloro-3-butenoic acid
The XLogP value of 2.3466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trichloro-3-butenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4,4-Trichloro-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trichloro-3-butenoic acid has 1 hydrogen bond donor(s) and 1 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 3,4,4-Trichloro-3-butenoic acid?
The CAS number of 3,4,4-Trichloro-3-butenoic acid is 5593-85-1.
What is the molecular formula of 3,4,4-Trichloro-3-butenoic acid?
The molecular formula of 3,4,4-Trichloro-3-butenoic acid is C4H3Cl3O2.
What is the molecular weight of 3,4,4-Trichloro-3-butenoic acid?
The molecular weight of 3,4,4-Trichloro-3-butenoic acid is 187.92 g/mol.
Where can I buy 3,4,4-Trichloro-3-butenoic acid?
You can request a quote for 3,4,4-Trichloro-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-Trichloro-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trichloro-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.