methyl 4-((1S)-1-hydroxyethyl)benzoate
TL;DR: methyl 4-((1S)-1-hydroxyethyl)benzoate (CAS 79322-76-2) 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 4-[(1S)-1-hydroxyethyl]benzoate
Also Known As: methyl 4-[(1S)-1-hydroxyethyl]benzoate, Methyl (S)-4-(1-Hydroxyethyl)benzoate, Methyl 4-(1-hydroxyethyl)benzoate, Benzoic acid, 4-[(1S)-1-hydroxyethyl]-, methyl ester, (S)-methyl 4-(1-hydroxyethyl)benzoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.5265 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 287.5431 |
Chemical Identifiers
| CAS Number | 79322-76-2 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)C(=O)OC)O |
Product Overview
methyl 4-((1S)-1-hydroxyethyl)benzoate (CAS 79322-76-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 4-[(1S)-1-hydroxyethyl]benzoate.
Chemical Property Profile of methyl 4-((1S)-1-hydroxyethyl)benzoate
Property Insights of methyl 4-((1S)-1-hydroxyethyl)benzoate
The XLogP value of 1.5265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-((1S)-1-hydroxyethyl)benzoate. With a topological polar surface area (TPSA) of 46.53 Ų, methyl 4-((1S)-1-hydroxyethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-((1S)-1-hydroxyethyl)benzoate 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 4-((1S)-1-hydroxyethyl)benzoate?
The CAS number of methyl 4-((1S)-1-hydroxyethyl)benzoate is 79322-76-2.
What is the molecular formula of methyl 4-((1S)-1-hydroxyethyl)benzoate?
The molecular formula of methyl 4-((1S)-1-hydroxyethyl)benzoate is C10H12O3.
What is the molecular weight of methyl 4-((1S)-1-hydroxyethyl)benzoate?
The molecular weight of methyl 4-((1S)-1-hydroxyethyl)benzoate is 180.08 g/mol.
Where can I buy methyl 4-((1S)-1-hydroxyethyl)benzoate?
You can request a quote for methyl 4-((1S)-1-hydroxyethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((1S)-1-hydroxyethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((1S)-1-hydroxyethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.