![Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester structure](/static/products/859/85907-79-5.png)
Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester
TL;DR: Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester (CAS 85907-79-5) is a chemical compound with molecular formula C27H25NO4 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate
Also Known As: BAS 00162411, [4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate, 4-[(4-Cyanophenoxy)carbonyl]phenyl 4-hexylbenzoate, Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester, Benzoic acid,4-hexyl-,4-[(4-cyanophenoxy)carbonyl]phenyl ester
| Molecular Formula | C27H25NO4 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 6.11948 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.17834 |
| Heavy Atoms | 32 |
| Complexity | 1078.5004 |
Chemical Identifiers
| CAS Number | 85907-79-5 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N |
Product Overview
Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester (CAS 85907-79-5), with molecular formula C27H25NO4 and molecular weight 427.18 g/mol. IUPAC: [4-(4-cyanophenoxy)carbonylphenyl] 4-hexylbenzoate.
Chemical Property Profile of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester
Property Insights of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester
The XLogP value of 6.11948 indicates that Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester 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 Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl 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-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester?
The CAS number of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester is 85907-79-5.
What is the molecular formula of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester?
The molecular formula of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester is C27H25NO4.
What is the molecular weight of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester?
The molecular weight of Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester is 427.18 g/mol.
Where can I buy Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester?
You can request a quote for Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl 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-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hexyl-, 4-[(4-cyanophenoxy)carbonyl]phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.