4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate
TL;DR: 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate (CAS 61733-23-1) is a chemical compound with molecular formula C31H38O2 and molecular weight 442.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentylphenyl) 4-(4-heptylphenyl)benzoate
Also Known As: EINECS 262-941-5, (4-pentylphenyl) 4-(4-heptylphenyl)benzoate, 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate, 4-Pentylphenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate, 4-pentylphenyl4'-heptyl[1,1'-biphenyl]-4-carboxylate
| Molecular Formula | C31H38O2 |
|---|---|
| Molecular Weight | 442.29 g/mol |
| LogP | 8.8184 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 442.28717 |
| Heavy Atoms | 33 |
| Complexity | 953.3149 |
Chemical Identifiers
| CAS Number | 61733-23-1 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC |
Product Overview
4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate (CAS 61733-23-1), with molecular formula C31H38O2 and molecular weight 442.29 g/mol. IUPAC: (4-pentylphenyl) 4-(4-heptylphenyl)benzoate.
Chemical Property Profile of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate
Property Insights of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate
The XLogP value of 8.8184 indicates that 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate?
The CAS number of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate is 61733-23-1.
What is the molecular formula of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate?
The molecular formula of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate is C31H38O2.
What is the molecular weight of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate?
The molecular weight of 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate is 442.29 g/mol.
Where can I buy 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate?
You can request a quote for 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.