Valeric acid, 4-methoxyphenyl ester
TL;DR: Valeric acid, 4-methoxyphenyl ester (CAS 67001-63-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) pentanoate
Also Known As: 4-methoxyphenyl pentanoate, (4-methoxyphenyl) pentanoate, 4-methoxyphenyl valerate, Valeric acid, 4-methoxyphenyl ester, 1-methoxy-4-valeryloxy-benzene
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 67001-63-2 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)OC |
| InChIKey | ZPDRGYSTSKWYID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valeric acid, 4-methoxyphenyl ester (CAS 67001-63-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (4-methoxyphenyl) pentanoate.
Chemical Property Profile of Valeric acid, 4-methoxyphenyl ester
Property Insights of Valeric acid, 4-methoxyphenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeric acid, 4-methoxyphenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Valeric acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeric acid, 4-methoxyphenyl 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 Valeric acid, 4-methoxyphenyl ester?
The CAS number of Valeric acid, 4-methoxyphenyl ester is 67001-63-2.
What is the molecular formula of Valeric acid, 4-methoxyphenyl ester?
The molecular formula of Valeric acid, 4-methoxyphenyl ester is C12H16O3.
What is the molecular weight of Valeric acid, 4-methoxyphenyl ester?
The molecular weight of Valeric acid, 4-methoxyphenyl ester is 208.11 g/mol.
Where can I buy Valeric acid, 4-methoxyphenyl ester?
You can request a quote for Valeric acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.