2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester
TL;DR: 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester (CAS 61924-46-7) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentylphenyl) 3-(4-cyanophenyl)prop-2-enoate
Also Known As: p-Pentylphenyl p-cyanocinnamate, 3- propenoicacid4-pentylphenylester, (4-pentylphenyl) 3-(4-cyanophenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester, 3-(4-Cyanophenyl)propenoic acid 4-pentylphenyl ester
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 61924-46-7 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)C#N |
| InChIKey | ZPALCVHFGUSKFL-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester (CAS 61924-46-7), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: (4-pentylphenyl) 3-(4-cyanophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester
Property Insights of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester
The XLogP value of 5.9 indicates that 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester?
The CAS number of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester is 61924-46-7.
What is the molecular formula of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester?
The molecular formula of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester is C21H21NO2.
What is the molecular weight of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester?
The molecular weight of 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester is 319.16 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester?
You can request a quote for 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.