4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-
TL;DR: 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- (CAS 86728-85-0) 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 (3R)-4-chloro-3-hydroxybutanoate
Also Known As: Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate, (R)-Ethyl 4-chloro-3-hydroxybutanoate, ethyl (3R)-4-chloro-3-hydroxybutanoate, Levocarnitine Impurity 17, ethyl (3R)-4-chloro-3-hydroxy-butanoate
| 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 | 86728-85-0 |
|---|---|
| SMILES | CCOC(=O)C[C@H](CCl)O |
Product Overview
4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- (CAS 86728-85-0), with molecular formula C6H11ClO3 and molecular weight 166.04 g/mol. IUPAC: ethyl (3R)-4-chloro-3-hydroxybutanoate.
Chemical Property Profile of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-
Property Insights of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-
The XLogP value of 0.5393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- 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 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-?
The CAS number of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- is 86728-85-0.
What is the molecular formula of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-?
The molecular formula of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- is C6H11ClO3.
What is the molecular weight of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-?
The molecular weight of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- is 166.04 g/mol.
Where can I buy 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-?
You can request a quote for 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-hydroxybutyric acid ethyl ester, (3R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.