Methyl 4-(1-hydroxyethyl)benzoate
TL;DR: Methyl 4-(1-hydroxyethyl)benzoate (CAS 129446-47-5) 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-(1-hydroxyethyl)benzoate
Also Known As: Methyl 4-(1-hydroxyethyl)benzoate, caprylichydrazide, Methyl4- benzoate, methyl-4-(1-hydroxyethyl)benzoate, methyl 4-(hydroxyethyl)benzoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 129446-47-5 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C(=O)OC)O |
| InChIKey | KAXLTAULVFFCNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(1-hydroxyethyl)benzoate (CAS 129446-47-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 4-(1-hydroxyethyl)benzoate.
Chemical Property Profile of Methyl 4-(1-hydroxyethyl)benzoate
Property Insights of Methyl 4-(1-hydroxyethyl)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1-hydroxyethyl)benzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 4-(1-hydroxyethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(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-(1-hydroxyethyl)benzoate?
The CAS number of Methyl 4-(1-hydroxyethyl)benzoate is 129446-47-5.
What is the molecular formula of Methyl 4-(1-hydroxyethyl)benzoate?
The molecular formula of Methyl 4-(1-hydroxyethyl)benzoate is C10H12O3.
What is the molecular weight of Methyl 4-(1-hydroxyethyl)benzoate?
The molecular weight of Methyl 4-(1-hydroxyethyl)benzoate is 180.08 g/mol.
Where can I buy Methyl 4-(1-hydroxyethyl)benzoate?
You can request a quote for Methyl 4-(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-(1-hydroxyethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1-hydroxyethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.