4'-Cyano-4-biphenylyl p-heptylbenzoate
TL;DR: 4'-Cyano-4-biphenylyl p-heptylbenzoate (CAS 60508-30-7) is a chemical compound with molecular formula C27H27NO2 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 4-heptylbenzoate
Also Known As: 4'-Cyano-4-biphenylyl p-heptylbenzoate, [4-(4-cyanophenyl)phenyl] 4-heptylbenzoate, 4/'-Cyano-4-biphenylyl p-heptylbenzoate, 4 -Cyano-4-biphenylyl p-heptylbenzoate, 4'-cyano-[1,1'-biphenyl]-4-yl 4-heptylbenzoate
| Molecular Formula | C27H27NO2 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.2042 |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 60508-30-7 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| InChIKey | XSQVYEWBLVGAAQ-UHFFFAOYSA-N |
Product Overview
4'-Cyano-4-biphenylyl p-heptylbenzoate (CAS 60508-30-7), with molecular formula C27H27NO2 and molecular weight 397.20 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 4-heptylbenzoate.
Chemical Property Profile of 4'-Cyano-4-biphenylyl p-heptylbenzoate
Property Insights of 4'-Cyano-4-biphenylyl p-heptylbenzoate
The XLogP value of 8.2 indicates that 4'-Cyano-4-biphenylyl p-heptylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 4'-Cyano-4-biphenylyl p-heptylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyano-4-biphenylyl p-heptylbenzoate 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 p-heptylbenzoate?
The CAS number of 4'-Cyano-4-biphenylyl p-heptylbenzoate is 60508-30-7.
What is the molecular formula of 4'-Cyano-4-biphenylyl p-heptylbenzoate?
The molecular formula of 4'-Cyano-4-biphenylyl p-heptylbenzoate is C27H27NO2.
What is the molecular weight of 4'-Cyano-4-biphenylyl p-heptylbenzoate?
The molecular weight of 4'-Cyano-4-biphenylyl p-heptylbenzoate is 397.20 g/mol.
Where can I buy 4'-Cyano-4-biphenylyl p-heptylbenzoate?
You can request a quote for 4'-Cyano-4-biphenylyl p-heptylbenzoate 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 p-heptylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyano-4-biphenylyl p-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.