4,4,4-Trichloro-3-hydroxybutanoic acid
TL;DR: 4,4,4-Trichloro-3-hydroxybutanoic acid (CAS 15299-53-3) is a chemical compound with molecular formula C4H5Cl3O3 and molecular weight 205.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-3-hydroxybutanoic acid
Also Known As: 4,4,4-trichloro-3-hydroxybutanoic acid, butanoic acid, 4,4,4-trichloro-3-hydroxy-, 4,4,4-Trichloro-3-hydroxybutyric acid, 4,4,4-trichloro-3-hydroxybutanoicacid, Butanoic acid,4,4,4-trichloro-3-hydroxy-
| Molecular Formula | C4H5Cl3O3 |
|---|---|
| Molecular Weight | 205.93 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.93042 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 15299-53-3 |
|---|---|
| SMILES | C(C(C(Cl)(Cl)Cl)O)C(=O)O |
| InChIKey | PNRIZWCHOZUISE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trichloro-3-hydroxybutanoic acid (CAS 15299-53-3), with molecular formula C4H5Cl3O3 and molecular weight 205.93 g/mol. IUPAC: 4,4,4-trichloro-3-hydroxybutanoic acid.
Chemical Property Profile of 4,4,4-Trichloro-3-hydroxybutanoic acid
Property Insights of 4,4,4-Trichloro-3-hydroxybutanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trichloro-3-hydroxybutanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4,4,4-Trichloro-3-hydroxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trichloro-3-hydroxybutanoic acid has 2 hydrogen bond donor(s) and 3 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-3-hydroxybutanoic acid?
The CAS number of 4,4,4-Trichloro-3-hydroxybutanoic acid is 15299-53-3.
What is the molecular formula of 4,4,4-Trichloro-3-hydroxybutanoic acid?
The molecular formula of 4,4,4-Trichloro-3-hydroxybutanoic acid is C4H5Cl3O3.
What is the molecular weight of 4,4,4-Trichloro-3-hydroxybutanoic acid?
The molecular weight of 4,4,4-Trichloro-3-hydroxybutanoic acid is 205.93 g/mol.
Where can I buy 4,4,4-Trichloro-3-hydroxybutanoic acid?
You can request a quote for 4,4,4-Trichloro-3-hydroxybutanoic 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-3-hydroxybutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.