Ethyl (3S)-4-chloro-3-hydroxybutanoate
TL;DR: Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS 86728-98-5) is a chemical compound with molecular formula C6H11ClO3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-4-chloro-3-hydroxybutanoate
Also Known As: ethyl s-4-chloro-3-hydroxybutyrate, ethyl (S)-4-chloro-3-hydroxybutanoate, ethyl (3S)-4-chloro-3-hydroxybutanoate, Ethyl (S)-4-Chloro-3-hydroxybutyrate, Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate
| Molecular Formula | C6H11ClO3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 0.5393 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.03967 |
| Heavy Atoms | 10 |
| Complexity | 105.16605 |
Chemical Identifiers
| CAS Number | 86728-98-5 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](CCl)O |
Product Overview
Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS 86728-98-5), with molecular formula C6H11ClO3 and molecular weight 166.04 g/mol. IUPAC: ethyl (3S)-4-chloro-3-hydroxybutanoate.
Chemical Property Profile of Ethyl (3S)-4-chloro-3-hydroxybutanoate
Property Insights of Ethyl (3S)-4-chloro-3-hydroxybutanoate
The XLogP value of 0.5393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3S)-4-chloro-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl (3S)-4-chloro-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3S)-4-chloro-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 Ethyl (3S)-4-chloro-3-hydroxybutanoate?
The CAS number of Ethyl (3S)-4-chloro-3-hydroxybutanoate is 86728-98-5.
What is the molecular formula of Ethyl (3S)-4-chloro-3-hydroxybutanoate?
The molecular formula of Ethyl (3S)-4-chloro-3-hydroxybutanoate is C6H11ClO3.
What is the molecular weight of Ethyl (3S)-4-chloro-3-hydroxybutanoate?
The molecular weight of Ethyl (3S)-4-chloro-3-hydroxybutanoate is 166.04 g/mol.
Where can I buy Ethyl (3S)-4-chloro-3-hydroxybutanoate?
You can request a quote for Ethyl (3S)-4-chloro-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3S)-4-chloro-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3S)-4-chloro-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.