(S)-3-methyl-2-phenylbutanoic acid
TL;DR: (S)-3-methyl-2-phenylbutanoic acid (CAS 897956-98-8) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-phenylbutanoic acid
Also Known As: (S)-3-methyl-2-phenylbutanoic acid, (2S)-3-methyl-2-phenylbutanoic acid, S-2-hydroxybutyric acid, (S)-3-METHYL-2-PHENYL-BUTYRIC ACID, alpha-Isopropylphenylacetic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5108 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 277.40158 |
Chemical Identifiers
| CAS Number | 897956-98-8 |
|---|---|
| SMILES | CC(C)[C@@H](C1=CC=CC=C1)C(=O)O |
Product Overview
(S)-3-methyl-2-phenylbutanoic acid (CAS 897956-98-8), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (2S)-3-methyl-2-phenylbutanoic acid.
Chemical Property Profile of (S)-3-methyl-2-phenylbutanoic acid
Property Insights of (S)-3-methyl-2-phenylbutanoic acid
The XLogP value of 2.5108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-methyl-2-phenylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (S)-3-methyl-2-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-methyl-2-phenylbutanoic acid has 1 hydrogen bond donor(s) and 1 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 (S)-3-methyl-2-phenylbutanoic acid?
The CAS number of (S)-3-methyl-2-phenylbutanoic acid is 897956-98-8.
What is the molecular formula of (S)-3-methyl-2-phenylbutanoic acid?
The molecular formula of (S)-3-methyl-2-phenylbutanoic acid is C11H14O2.
What is the molecular weight of (S)-3-methyl-2-phenylbutanoic acid?
The molecular weight of (S)-3-methyl-2-phenylbutanoic acid is 178.10 g/mol.
Where can I buy (S)-3-methyl-2-phenylbutanoic acid?
You can request a quote for (S)-3-methyl-2-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-methyl-2-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-methyl-2-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.