Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
TL;DR: Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 893757-47-6) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, Phenylmethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, Benzyl 2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.05118 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 760.3362 |
Chemical Identifiers
| CAS Number | 893757-47-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC2=CC=CC=C2)O |
Product Overview
Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 893757-47-6), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Property Insights of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
The XLogP value of 3.05118 indicates that Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 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 Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The CAS number of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 893757-47-6.
What is the molecular formula of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular formula of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is C18H15NO4.
What is the molecular weight of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular weight of Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 309.10 g/mol.
Where can I buy Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
You can request a quote for Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.