p-Anisic acid, 4-cyanophenyl ester
TL;DR: p-Anisic acid, 4-cyanophenyl ester (CAS 74471-18-4) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-methoxybenzoate
Also Known As: 4-cyanophenyl 4-methoxybenzoate, p-Anisic acid, 4-cyanophenyl ester, (4-cyanophenyl) 4-methoxybenzoate, Benzoic acid, 4-methoxy-, 4-cyanophenyl ester, p-Methoxybenzoic acid p-cyanophenyl ester
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 74471-18-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| InChIKey | FUEVOZVWRDBZFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Anisic acid, 4-cyanophenyl ester (CAS 74471-18-4), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: (4-cyanophenyl) 4-methoxybenzoate.
Chemical Property Profile of p-Anisic acid, 4-cyanophenyl ester
Property Insights of p-Anisic acid, 4-cyanophenyl ester
The XLogP value of 3.3 indicates that p-Anisic acid, 4-cyanophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, p-Anisic acid, 4-cyanophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Anisic acid, 4-cyanophenyl ester has 0 hydrogen bond donor(s) and 4 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 p-Anisic acid, 4-cyanophenyl ester?
The CAS number of p-Anisic acid, 4-cyanophenyl ester is 74471-18-4.
What is the molecular formula of p-Anisic acid, 4-cyanophenyl ester?
The molecular formula of p-Anisic acid, 4-cyanophenyl ester is C15H11NO3.
What is the molecular weight of p-Anisic acid, 4-cyanophenyl ester?
The molecular weight of p-Anisic acid, 4-cyanophenyl ester is 253.07 g/mol.
Where can I buy p-Anisic acid, 4-cyanophenyl ester?
You can request a quote for p-Anisic acid, 4-cyanophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Anisic acid, 4-cyanophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Anisic acid, 4-cyanophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.