4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate
TL;DR: 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate (CAS 77518-17-3) is a chemical compound with molecular formula C27H33NO2 and molecular weight 403.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 4-heptylcyclohexane-1-carboxylate
Also Known As: 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate, [4-(4-cyanophenyl)phenyl] 4-heptylcyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 4-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans-, Cyclohexanecarboxylic acid, 4-heptyl-, 4'-cyano(1,1'-biphenyl)-4-ylester, trans-, 4'-Cyano[1,1'-biphenyl]-4-yl trans-4-heptylcyclohexanecarboxylate
| Molecular Formula | C27H33NO2 |
|---|---|
| Molecular Weight | 403.25 g/mol |
| LogP | 7.29758 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.25113 |
| Heavy Atoms | 30 |
| Complexity | 824.6619 |
Chemical Identifiers
| CAS Number | 77518-17-3 |
|---|---|
| SMILES | CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
Product Overview
4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate (CAS 77518-17-3), with molecular formula C27H33NO2 and molecular weight 403.25 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 4-heptylcyclohexane-1-carboxylate.
Chemical Property Profile of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate
Property Insights of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate
The XLogP value of 7.29758 indicates that 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate 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 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate?
The CAS number of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate is 77518-17-3.
What is the molecular formula of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate?
The molecular formula of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate is C27H33NO2.
What is the molecular weight of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate?
The molecular weight of 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate is 403.25 g/mol.
Where can I buy 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate?
You can request a quote for 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyano-4-biphenylyl 4-heptylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.