ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate
TL;DR: ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate (CAS 187730-99-0) is a chemical compound with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate
Also Known As: ethyl 3-chloro-2-hydroxyhexanoate, ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate, Ethyl (2R,3S)-3-chloro-2-hydroxy-hexanoate, (2S,3S)-3-Chloro-2-hydroxyhexanoic acid ethyl ester
| Molecular Formula | C8H15ClO3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.3179 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.07097 |
| Heavy Atoms | 12 |
| Complexity | 138.26466 |
Chemical Identifiers
| CAS Number | 187730-99-0 |
|---|---|
| SMILES | CCC[C@@H]([C@H](C(=O)OCC)O)Cl |
Product Overview
ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate (CAS 187730-99-0), with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol. IUPAC: ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate.
Chemical Property Profile of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate
Property Insights of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate
The XLogP value of 1.3179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate. With a topological polar surface area (TPSA) of 46.53 Ų, ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate 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 (2S,3S)-3-chloro-2-hydroxyhexanoate?
The CAS number of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate is 187730-99-0.
What is the molecular formula of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate?
The molecular formula of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate is C8H15ClO3.
What is the molecular weight of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate?
The molecular weight of ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate is 194.07 g/mol.
Where can I buy ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate?
You can request a quote for ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S,3S)-3-chloro-2-hydroxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.