3-Methoxyphenyl propionate
TL;DR: 3-Methoxyphenyl propionate (CAS 67001-64-3) 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.
(3-methoxyphenyl) propanoate
Also Known As: 3-methoxyphenyl propionate, 3-methoxyphenyl propanoate, m-Methoxyphenyl propionate, (3-methoxyphenyl) propanoate, 3-methoxyphenol,propanoic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.1 |
| 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 | 168.0 |
Chemical Identifiers
| CAS Number | 67001-64-3 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC(=C1)OC |
| InChIKey | GTQSZEJBFQFWOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyphenyl propionate (CAS 67001-64-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (3-methoxyphenyl) propanoate.
Chemical Property Profile of 3-Methoxyphenyl propionate
Property Insights of 3-Methoxyphenyl propionate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyphenyl propionate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxyphenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyphenyl propionate 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 3-Methoxyphenyl propionate?
The CAS number of 3-Methoxyphenyl propionate is 67001-64-3.
What is the molecular formula of 3-Methoxyphenyl propionate?
The molecular formula of 3-Methoxyphenyl propionate is C10H12O3.
What is the molecular weight of 3-Methoxyphenyl propionate?
The molecular weight of 3-Methoxyphenyl propionate is 180.08 g/mol.
Where can I buy 3-Methoxyphenyl propionate?
You can request a quote for 3-Methoxyphenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyphenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyphenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.