4,4,4-三氯丁酸
TL;DR: 4,4,4-三氯丁酸 (CAS 2345-32-6) 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.
4,4,4-三氯丁酸
4,4,4-trichlorobutanoic acid
Also Known As: 4,4,4-Trichlorobutyric acid, 4,4,4-trichlorobutanoic acid, Butanoic acid, 4,4,4-trichloro-, TrichlorbuttersA currencyure, 4,4,4-trichlorobutanoicacid
| Molecular Formula | C4H5Cl3O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 1.9 |
| 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 | 107.0 |
Chemical Identifiers
| CAS Number | 2345-32-6 |
|---|---|
| SMILES | C(CC(Cl)(Cl)Cl)C(=O)O |
| InChIKey | KXPULUVMTDIQOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-三氯丁酸 (CAS 2345-32-6), with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol. IUPAC: 4,4,4-trichlorobutanoic acid.
Chemical Property Profile of 4,4,4-三氯丁酸
Property Insights of 4,4,4-三氯丁酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-三氯丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-三氯丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-三氯丁酸 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 4,4,4-三氯丁酸?
The CAS number of 4,4,4-三氯丁酸 is 2345-32-6.
What is the molecular formula of 4,4,4-三氯丁酸?
The molecular formula of 4,4,4-三氯丁酸 is C4H5Cl3O2.
What is the molecular weight of 4,4,4-三氯丁酸?
The molecular weight of 4,4,4-三氯丁酸 is 189.94 g/mol.
Where can I buy 4,4,4-三氯丁酸?
You can request a quote for 4,4,4-三氯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-三氯丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-三氯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.