4-Cyano-2-methoxyphenyl 2-methylbenzoate
TL;DR: 4-Cyano-2-methoxyphenyl 2-methylbenzoate (CAS 831205-47-1) 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-methoxyphenyl) 2-methylbenzoate
Also Known As: 4-CYANO-2-METHOXYPHENYL 2-METHYLBENZOATE, (4-cyano-2-methoxyphenyl) 2-methylbenzoate
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.0945 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 686.36163 |
Chemical Identifiers
| CAS Number | 831205-47-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C#N)OC |
Product Overview
4-Cyano-2-methoxyphenyl 2-methylbenzoate (CAS 831205-47-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: (4-cyano-2-methoxyphenyl) 2-methylbenzoate.
Chemical Property Profile of 4-Cyano-2-methoxyphenyl 2-methylbenzoate
Property Insights of 4-Cyano-2-methoxyphenyl 2-methylbenzoate
The XLogP value of 3.0945 indicates that 4-Cyano-2-methoxyphenyl 2-methylbenzoate 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-methoxyphenyl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2-methoxyphenyl 2-methylbenzoate 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-methoxyphenyl 2-methylbenzoate?
The CAS number of 4-Cyano-2-methoxyphenyl 2-methylbenzoate is 831205-47-1.
What is the molecular formula of 4-Cyano-2-methoxyphenyl 2-methylbenzoate?
The molecular formula of 4-Cyano-2-methoxyphenyl 2-methylbenzoate is C16H13NO3.
What is the molecular weight of 4-Cyano-2-methoxyphenyl 2-methylbenzoate?
The molecular weight of 4-Cyano-2-methoxyphenyl 2-methylbenzoate is 267.09 g/mol.
Where can I buy 4-Cyano-2-methoxyphenyl 2-methylbenzoate?
You can request a quote for 4-Cyano-2-methoxyphenyl 2-methylbenzoate 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-methoxyphenyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-methoxyphenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.