5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester
TL;DR: 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester (CAS 115499-64-4) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6,6-bis(4-methoxyphenyl)hex-5-enoate
Also Known As: des-4-fluoro-benzyl-mosapride, Methyl 5-cyano-6,6-bis(4-methoxyphenyl)-5-hexenoate, 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester, methyl 5-cyano-6,6-bis(4-methoxyphenyl)hex-5-enoate, 5-Hexenoic acid,5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.37258 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 780.61163 |
Chemical Identifiers
| CAS Number | 115499-64-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=C(CCCC(=O)OC)C#N)C2=CC=C(C=C2)OC |
Product Overview
5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester (CAS 115499-64-4), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: methyl 5-cyano-6,6-bis(4-methoxyphenyl)hex-5-enoate.
Chemical Property Profile of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester
Property Insights of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester
The XLogP value of 4.37258 indicates that 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester. Following Lipinski's Rule of Five, 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester has 0 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 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester?
The CAS number of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester is 115499-64-4.
What is the molecular formula of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester?
The molecular formula of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester is C22H23NO4.
What is the molecular weight of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester?
The molecular weight of 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester is 365.16 g/mol.
Where can I buy 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester?
You can request a quote for 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexenoic acid, 5-cyano-6,6-bis(4-methoxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.