p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
TL;DR: p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate (CAS 313492-66-9) is a chemical compound with molecular formula C25H29NO2 and molecular weight 375.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate
Also Known As: 4-Cyanophenyl 4-(trans-4-pentylcyclohexyl)benzoate, sulindac, 4-Cyanophenyl4- benzoate, (4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate, 4-CYANOPHENYL 4-(4-PENTYLCYCLOHEXYL)BENZOATE
| Molecular Formula | C25H29NO2 |
|---|---|
| Molecular Weight | 375.22 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.21982 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 313492-66-9 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N |
| InChIKey | IPGHZWGLMSBNAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate (CAS 313492-66-9), with molecular formula C25H29NO2 and molecular weight 375.22 g/mol. IUPAC: (4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate.
Chemical Property Profile of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
Property Insights of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
The XLogP value of 8.0 indicates that p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate 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 p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate?
The CAS number of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate is 313492-66-9.
What is the molecular formula of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate?
The molecular formula of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate is C25H29NO2.
What is the molecular weight of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate?
The molecular weight of p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate is 375.22 g/mol.
Where can I buy p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate?
You can request a quote for p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for p-Cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.