Methyl 4,4,4-trichloro-3-hydroxybutanoate
TL;DR: Methyl 4,4,4-trichloro-3-hydroxybutanoate (CAS 19487-29-7) is a chemical compound with molecular formula C5H7Cl3O3 and molecular weight 219.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-trichloro-3-hydroxybutanoate
Also Known As: methyl 4,4,4-trichloro-3-hydroxybutanoate, Methyl 4,4,4-trichloro-3-hydroxy-butanoate, METHYL 3-HYDROXY-4,4,4-TRICHLOROBUTYRATE), METHYL 3-HYDROXY-4,4,4-TRICHLOROBUTYRATE, 4,4,4-trichloro-3-hydroxy-butyric acid methyl ester
| Molecular Formula | C5H7Cl3O3 |
|---|---|
| Molecular Weight | 219.95 g/mol |
| LogP | 1.2806 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.94608 |
| Heavy Atoms | 11 |
| Complexity | 142.3983 |
Chemical Identifiers
| CAS Number | 19487-29-7 |
|---|---|
| SMILES | COC(=O)CC(C(Cl)(Cl)Cl)O |
Product Overview
Methyl 4,4,4-trichloro-3-hydroxybutanoate (CAS 19487-29-7), with molecular formula C5H7Cl3O3 and molecular weight 219.95 g/mol. IUPAC: methyl 4,4,4-trichloro-3-hydroxybutanoate.
Chemical Property Profile of Methyl 4,4,4-trichloro-3-hydroxybutanoate
Property Insights of Methyl 4,4,4-trichloro-3-hydroxybutanoate
The XLogP value of 1.2806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,4-trichloro-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 4,4,4-trichloro-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4,4-trichloro-3-hydroxybutanoate has 1 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 Methyl 4,4,4-trichloro-3-hydroxybutanoate?
The CAS number of Methyl 4,4,4-trichloro-3-hydroxybutanoate is 19487-29-7.
What is the molecular formula of Methyl 4,4,4-trichloro-3-hydroxybutanoate?
The molecular formula of Methyl 4,4,4-trichloro-3-hydroxybutanoate is C5H7Cl3O3.
What is the molecular weight of Methyl 4,4,4-trichloro-3-hydroxybutanoate?
The molecular weight of Methyl 4,4,4-trichloro-3-hydroxybutanoate is 219.95 g/mol.
Where can I buy Methyl 4,4,4-trichloro-3-hydroxybutanoate?
You can request a quote for Methyl 4,4,4-trichloro-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,4-trichloro-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-trichloro-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.