(s)-2-Phenoxypropionic acid methyl ester
TL;DR: (s)-2-Phenoxypropionic acid methyl ester (CAS 115880-48-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-phenoxypropanoate
Also Known As: Methyl 2-phenoxypropanoate, methyl (2S)-2-phenoxypropanoate, (s)-2-phenoxypropionic acid methyl ester, (S)-2-Phenoxypropanoic acid methyl ester, (2S)-2-Phenoxypropionic acid methyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 115880-48-3 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)OC1=CC=CC=C1 |
| InChIKey | KIBRBMKSBVQDMK-QMMMGPOBSA-N |
Product Overview
(s)-2-Phenoxypropionic acid methyl ester (CAS 115880-48-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl (2S)-2-phenoxypropanoate.
Chemical Property Profile of (s)-2-Phenoxypropionic acid methyl ester
Property Insights of (s)-2-Phenoxypropionic acid methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (s)-2-Phenoxypropionic acid methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, (s)-2-Phenoxypropionic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (s)-2-Phenoxypropionic acid methyl ester has 0 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 (s)-2-Phenoxypropionic acid methyl ester?
The CAS number of (s)-2-Phenoxypropionic acid methyl ester is 115880-48-3.
What is the molecular formula of (s)-2-Phenoxypropionic acid methyl ester?
The molecular formula of (s)-2-Phenoxypropionic acid methyl ester is C10H12O3.
What is the molecular weight of (s)-2-Phenoxypropionic acid methyl ester?
The molecular weight of (s)-2-Phenoxypropionic acid methyl ester is 180.08 g/mol.
Where can I buy (s)-2-Phenoxypropionic acid methyl ester?
You can request a quote for (s)-2-Phenoxypropionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (s)-2-Phenoxypropionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (s)-2-Phenoxypropionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.