Methyl (3S)-4-chloro-3-hydroxybutanoate
TL;DR: Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS 88496-70-2) is a chemical compound with molecular formula C5H9ClO3 and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-4-chloro-3-hydroxybutanoate
Also Known As: (S)-methyl-4-chloro-3-hydroxybutyrate, Methyl (S)-4-chloro-3-hydroxybutyrate, (S)-methyl 4-chloro-3-hydroxybutanoate, methyl (3S)-4-chloro-3-hydroxybutanoate, (S)-Methyl 4-cloro-3-hydroxybutyrate
| Molecular Formula | C5H9ClO3 |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | 0.1492 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.02402 |
| Heavy Atoms | 9 |
| Complexity | 94.203896 |
Chemical Identifiers
| CAS Number | 88496-70-2 |
|---|---|
| SMILES | COC(=O)C[C@@H](CCl)O |
Product Overview
Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS 88496-70-2), with molecular formula C5H9ClO3 and molecular weight 152.02 g/mol. IUPAC: methyl (3S)-4-chloro-3-hydroxybutanoate.
Chemical Property Profile of Methyl (3S)-4-chloro-3-hydroxybutanoate
Property Insights of Methyl (3S)-4-chloro-3-hydroxybutanoate
The XLogP value of 0.1492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3S)-4-chloro-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl (3S)-4-chloro-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (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 Methyl (3S)-4-chloro-3-hydroxybutanoate?
The CAS number of Methyl (3S)-4-chloro-3-hydroxybutanoate is 88496-70-2.
What is the molecular formula of Methyl (3S)-4-chloro-3-hydroxybutanoate?
The molecular formula of Methyl (3S)-4-chloro-3-hydroxybutanoate is C5H9ClO3.
What is the molecular weight of Methyl (3S)-4-chloro-3-hydroxybutanoate?
The molecular weight of Methyl (3S)-4-chloro-3-hydroxybutanoate is 152.02 g/mol.
Where can I buy Methyl (3S)-4-chloro-3-hydroxybutanoate?
You can request a quote for Methyl (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 Methyl (3S)-4-chloro-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3S)-4-chloro-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.