Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester
TL;DR: Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester (CAS 75941-90-1) is a chemical compound with molecular formula C29H34N2O3 and molecular weight 458.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butoxy-2,3-dicyanophenyl) 4-(4-butylcyclohexyl)benzoate
Also Known As: 4-Butoxy-2,3-dicyanophenyl 4-(4-butylcyclohexyl)benzoate, (4-butoxy-2,3-dicyanophenyl) 4-(4-butylcyclohexyl)benzoate, 4-Butoxy-2,3-dicyanophenyl 4-(4-butylcyclohexyl)benzoate #, Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester, Benzoic acid, 4-(trans-4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester
| Molecular Formula | C29H34N2O3 |
|---|---|
| Molecular Weight | 458.26 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.25696 |
| Heavy Atoms | 34 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 75941-90-1 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)C#N)C#N |
| InChIKey | LZQBZDRWKGGVFL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester (CAS 75941-90-1), with molecular formula C29H34N2O3 and molecular weight 458.26 g/mol. IUPAC: (4-butoxy-2,3-dicyanophenyl) 4-(4-butylcyclohexyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester
Property Insights of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester
The XLogP value of 8.4 indicates that Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester 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 Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester?
The CAS number of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester is 75941-90-1.
What is the molecular formula of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester?
The molecular formula of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester is C29H34N2O3.
What is the molecular weight of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester?
The molecular weight of Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester is 458.26 g/mol.
Where can I buy Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester?
You can request a quote for Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4-butylcyclohexyl)-, 4-butoxy-2,3-dicyanophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.