4-Cyano-2-ethoxyphenyl benzoate
TL;DR: 4-Cyano-2-ethoxyphenyl benzoate (CAS 445006-10-0) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2-ethoxyphenyl) benzoate
Also Known As: 4-cyano-2-ethoxyphenyl benzoate, (4-cyano-2-ethoxyphenyl) benzoate, AB01326813-02
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.17618 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 644.5167 |
Chemical Identifiers
| CAS Number | 445006-10-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2 |
Product Overview
4-Cyano-2-ethoxyphenyl benzoate (CAS 445006-10-0), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: (4-cyano-2-ethoxyphenyl) benzoate.
Chemical Property Profile of 4-Cyano-2-ethoxyphenyl benzoate
Property Insights of 4-Cyano-2-ethoxyphenyl benzoate
The XLogP value of 3.17618 indicates that 4-Cyano-2-ethoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 4-Cyano-2-ethoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2-ethoxyphenyl benzoate 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-Cyano-2-ethoxyphenyl benzoate?
The CAS number of 4-Cyano-2-ethoxyphenyl benzoate is 445006-10-0.
What is the molecular formula of 4-Cyano-2-ethoxyphenyl benzoate?
The molecular formula of 4-Cyano-2-ethoxyphenyl benzoate is C16H13NO3.
What is the molecular weight of 4-Cyano-2-ethoxyphenyl benzoate?
The molecular weight of 4-Cyano-2-ethoxyphenyl benzoate is 267.09 g/mol.
Where can I buy 4-Cyano-2-ethoxyphenyl benzoate?
You can request a quote for 4-Cyano-2-ethoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-2-ethoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-ethoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.