methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate
TL;DR: methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate (CAS 77943-40-9) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate
Also Known As: methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate, J1.684.513B, Methyl (2S,3R)-3-hydroxy-2,4-dimethyl-pentanoate, (2S,3R)-2,4-Dimethyl-3-hydroxypentanoic acid methyl ester, (2S,3R)-3-Hydroxy-2,4-dimethylpentanoic acid methyl ester
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 0.8124 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 131.29886 |
Chemical Identifiers
| CAS Number | 77943-40-9 |
|---|---|
| SMILES | C[C@@H]([C@@H](C(C)C)O)C(=O)OC |
Product Overview
methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate (CAS 77943-40-9), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate.
Chemical Property Profile of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate
Property Insights of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate
The XLogP value of 0.8124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate. With a topological polar surface area (TPSA) of 46.53 Ų, methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate 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 (2S,3R)-3-hydroxy-2,4-dimethylpentanoate?
The CAS number of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate is 77943-40-9.
What is the molecular formula of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate?
The molecular formula of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate is C8H16O3.
What is the molecular weight of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate?
The molecular weight of methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate is 160.11 g/mol.
Where can I buy methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate?
You can request a quote for methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.