2,2,3-Trichlorobutanoic acid
TL;DR: 2,2,3-Trichlorobutanoic acid (CAS 59333-67-4) is a chemical compound with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trichlorobutanoic acid
Also Known As: 2,2,3-trichlorobutanoic acid, Trichlorbuttersaure, 2,2,3-trichloro-butyric acid, 2,3-TRICHLOROBUTYRIC ACID, 2.2.3-Trichlor-butansaeure-(1)
| Molecular Formula | C4H5Cl3O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.93552 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 59333-67-4 |
|---|---|
| SMILES | CC(C(C(=O)O)(Cl)Cl)Cl |
| InChIKey | FAXJFVQAGPWKHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3-Trichlorobutanoic acid (CAS 59333-67-4), with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol. IUPAC: 2,2,3-trichlorobutanoic acid.
Chemical Property Profile of 2,2,3-Trichlorobutanoic acid
Property Insights of 2,2,3-Trichlorobutanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-Trichlorobutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2,3-Trichlorobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trichlorobutanoic 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 2,2,3-Trichlorobutanoic acid?
The CAS number of 2,2,3-Trichlorobutanoic acid is 59333-67-4.
What is the molecular formula of 2,2,3-Trichlorobutanoic acid?
The molecular formula of 2,2,3-Trichlorobutanoic acid is C4H5Cl3O2.
What is the molecular weight of 2,2,3-Trichlorobutanoic acid?
The molecular weight of 2,2,3-Trichlorobutanoic acid is 189.94 g/mol.
Where can I buy 2,2,3-Trichlorobutanoic acid?
You can request a quote for 2,2,3-Trichlorobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-Trichlorobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-Trichlorobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.