(4-Methoxyphenyl) 4-cyanobenzoate
TL;DR: (4-Methoxyphenyl) 4-cyanobenzoate (CAS 53327-12-1) 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-methoxyphenyl) 4-cyanobenzoate
Also Known As: (4-methoxyphenyl) 4-cyanobenzoate, 4-methoxyphenyl 4-cyanobenzoate, p-Cyanobenzoicacidp-methoxyphenylester, p-Cyanobenzoic acid p-methoxyphenyl ester, 4-Cyanobenzoic acid 4-methoxyphenyl ester
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.78608 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 609.3341 |
Chemical Identifiers
| CAS Number | 53327-12-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N |
Product Overview
(4-Methoxyphenyl) 4-cyanobenzoate (CAS 53327-12-1), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: (4-methoxyphenyl) 4-cyanobenzoate.
Chemical Property Profile of (4-Methoxyphenyl) 4-cyanobenzoate
Property Insights of (4-Methoxyphenyl) 4-cyanobenzoate
The XLogP value of 2.78608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl) 4-cyanobenzoate. With a topological polar surface area (TPSA) of 59.32 Ų, (4-Methoxyphenyl) 4-cyanobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl) 4-cyanobenzoate 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 (4-Methoxyphenyl) 4-cyanobenzoate?
The CAS number of (4-Methoxyphenyl) 4-cyanobenzoate is 53327-12-1.
What is the molecular formula of (4-Methoxyphenyl) 4-cyanobenzoate?
The molecular formula of (4-Methoxyphenyl) 4-cyanobenzoate is C15H11NO3.
What is the molecular weight of (4-Methoxyphenyl) 4-cyanobenzoate?
The molecular weight of (4-Methoxyphenyl) 4-cyanobenzoate is 253.07 g/mol.
Where can I buy (4-Methoxyphenyl) 4-cyanobenzoate?
You can request a quote for (4-Methoxyphenyl) 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl) 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl) 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.