(R)-2-acetylthiomethyl-3-phenylpropanoic acid
TL;DR: (R)-2-acetylthiomethyl-3-phenylpropanoic acid (CAS 91702-98-6) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
Also Known As: starbld0038893, (R)-2-acetylthiomethyl-3-phenylpropanoic acid, (R)-3-(Acetylthio)-2-benzylpropanoic acid, (R)-a-[(Acetylthio)methyl]benzenepropanoic Acid, (R)-alpha-[(Acetylthio)methyl]benzenepropanoic Acid
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 361.78644 |
Chemical Identifiers
| CAS Number | 91702-98-6 |
|---|---|
| SMILES | CC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)O |
Product Overview
(R)-2-acetylthiomethyl-3-phenylpropanoic acid (CAS 91702-98-6), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: (2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid.
Chemical Property Profile of (R)-2-acetylthiomethyl-3-phenylpropanoic acid
Property Insights of (R)-2-acetylthiomethyl-3-phenylpropanoic acid
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-acetylthiomethyl-3-phenylpropanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (R)-2-acetylthiomethyl-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-2-acetylthiomethyl-3-phenylpropanoic acid 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 (R)-2-acetylthiomethyl-3-phenylpropanoic acid?
The CAS number of (R)-2-acetylthiomethyl-3-phenylpropanoic acid is 91702-98-6.
What is the molecular formula of (R)-2-acetylthiomethyl-3-phenylpropanoic acid?
The molecular formula of (R)-2-acetylthiomethyl-3-phenylpropanoic acid is C12H14O3S.
What is the molecular weight of (R)-2-acetylthiomethyl-3-phenylpropanoic acid?
The molecular weight of (R)-2-acetylthiomethyl-3-phenylpropanoic acid is 238.07 g/mol.
Where can I buy (R)-2-acetylthiomethyl-3-phenylpropanoic acid?
You can request a quote for (R)-2-acetylthiomethyl-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-2-acetylthiomethyl-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-acetylthiomethyl-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.