![methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate structure](/static/products/6814/681460-18-4.webp)
methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate
TL;DR: methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate (CAS 681460-18-4) is a chemical compound with molecular formula C30H31NO4 and molecular weight 469.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate
Also Known As: methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate, Benzoic acid, 4,4'-[2-cyano-2-[4-(2-methylpropyl)phenyl]-1,3
| Molecular Formula | C30H31NO4 |
|---|---|
| Molecular Weight | 469.23 g/mol |
| LogP | 5.70508 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.2253 |
| Heavy Atoms | 35 |
| Complexity | 1125.604 |
Chemical Identifiers
| CAS Number | 681460-18-4 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)OC)(CC3=CC=C(C=C3)C(=O)OC)C#N |
Product Overview
methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate (CAS 681460-18-4), with molecular formula C30H31NO4 and molecular weight 469.23 g/mol. IUPAC: methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate.
Chemical Property Profile of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate
Property Insights of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate
The XLogP value of 5.70508 indicates that methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate?
The CAS number of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate is 681460-18-4.
What is the molecular formula of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate?
The molecular formula of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate is C30H31NO4.
What is the molecular weight of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate?
The molecular weight of methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate is 469.23 g/mol.
Where can I buy methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate?
You can request a quote for methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[2-cyano-3-(4-methoxycarbonylphenyl)-2-[4-(2-methylpropyl)phenyl]propyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.