4,4,4-Trichloro-but-2-enoic acid
TL;DR: 4,4,4-Trichloro-but-2-enoic acid (CAS 22230-93-9) 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.
4,4,4-trichlorobut-2-enoic acid
Also Known As: trichlorobutenoic acid, 4,4,4-trichloro-crotonic acid, 4,4,4-trichlorobut-2-enoic acid, 4,4,4-trichloro-but-2-enoic acid, 2-Butenoic acid,4,4,4-trichloro-
| Molecular Formula | C4H3Cl3O2 |
|---|---|
| Molecular Weight | 187.92 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.91986 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 22230-93-9 |
|---|---|
| SMILES | C(=CC(Cl)(Cl)Cl)C(=O)O |
| InChIKey | NXERUYGRZMHUMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trichloro-but-2-enoic acid (CAS 22230-93-9), with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol. IUPAC: 4,4,4-trichlorobut-2-enoic acid.
Chemical Property Profile of 4,4,4-Trichloro-but-2-enoic acid
Property Insights of 4,4,4-Trichloro-but-2-enoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trichloro-but-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-Trichloro-but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trichloro-but-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-but-2-enoic acid?
The CAS number of 4,4,4-Trichloro-but-2-enoic acid is 22230-93-9.
What is the molecular formula of 4,4,4-Trichloro-but-2-enoic acid?
The molecular formula of 4,4,4-Trichloro-but-2-enoic acid is C4H3Cl3O2.
What is the molecular weight of 4,4,4-Trichloro-but-2-enoic acid?
The molecular weight of 4,4,4-Trichloro-but-2-enoic acid is 187.92 g/mol.
Where can I buy 4,4,4-Trichloro-but-2-enoic acid?
You can request a quote for 4,4,4-Trichloro-but-2-enoic acid 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-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.