methyl (2R,3S)-2,3-dichlorohexanoate
TL;DR: methyl (2R,3S)-2,3-dichlorohexanoate (CAS 93524-87-9) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,3S)-2,3-dichlorohexanoate
Also Known As: methyl 2,3-dichlorohexanoate, methyl (2R,3S)-2,3-dichlorohexanoate
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 93524-87-9 |
|---|---|
| SMILES | CCC[C@@H]([C@@H](C(=O)OC)Cl)Cl |
| InChIKey | SHPHSNRABHDSJO-WDSKDSINSA-N |
Product Overview
methyl (2R,3S)-2,3-dichlorohexanoate (CAS 93524-87-9), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: methyl (2R,3S)-2,3-dichlorohexanoate.
Chemical Property Profile of methyl (2R,3S)-2,3-dichlorohexanoate
Property Insights of methyl (2R,3S)-2,3-dichlorohexanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2R,3S)-2,3-dichlorohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (2R,3S)-2,3-dichlorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2R,3S)-2,3-dichlorohexanoate has 0 hydrogen bond donor(s) and 2 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 (2R,3S)-2,3-dichlorohexanoate?
The CAS number of methyl (2R,3S)-2,3-dichlorohexanoate is 93524-87-9.
What is the molecular formula of methyl (2R,3S)-2,3-dichlorohexanoate?
The molecular formula of methyl (2R,3S)-2,3-dichlorohexanoate is C7H12Cl2O2.
What is the molecular weight of methyl (2R,3S)-2,3-dichlorohexanoate?
The molecular weight of methyl (2R,3S)-2,3-dichlorohexanoate is 198.02 g/mol.
Where can I buy methyl (2R,3S)-2,3-dichlorohexanoate?
You can request a quote for methyl (2R,3S)-2,3-dichlorohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2R,3S)-2,3-dichlorohexanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2R,3S)-2,3-dichlorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.