![(4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate structure](/static/products/967/96757-94-7.png)
(4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
TL;DR: (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate (CAS 96757-94-7) is a chemical compound with molecular formula C31H38O3 and molecular weight 458.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
Also Known As: (4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate, p-(Heptyloxy)phenyl 4'-(2-methylbutyl)-4-biphenylcarboxylate, 4'-(2-Methyl-butyl)-biphenyl-4-carboxylic acid 4-heptyloxy-phenyl ester, 4-(heptyloxy)phenyl 4'-(2-methylbutyl)-[1,1'-biphenyl]-4-carboxylate, 4-(Heptyloxy)phenyl 4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate
| Molecular Formula | C31H38O3 |
|---|---|
| Molecular Weight | 458.28 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 458.2821 |
| Heavy Atoms | 34 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 96757-94-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)CC |
| InChIKey | OHTYIECDHIGMOE-UHFFFAOYSA-N |
Product Overview
(4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate (CAS 96757-94-7), with molecular formula C31H38O3 and molecular weight 458.28 g/mol. IUPAC: (4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate.
Chemical Property Profile of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
Property Insights of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate
The XLogP value of 9.9 indicates that (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]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 (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate?
The CAS number of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate is 96757-94-7.
What is the molecular formula of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate?
The molecular formula of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate is C31H38O3.
What is the molecular weight of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate?
The molecular weight of (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate is 458.28 g/mol.
Where can I buy (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate?
You can request a quote for (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.