4-Heptylphenyl 4-heptylbenzoate
TL;DR: 4-Heptylphenyl 4-heptylbenzoate (CAS 79606-06-7) is a chemical compound with molecular formula C27H38O2 and molecular weight 394.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-heptylphenyl) 4-heptylbenzoate
Also Known As: 4-Heptylphenyl 4-heptylbenzoate, EINECS 279-195-1, (4-heptylphenyl) 4-heptylbenzoate, 4-Heptylbenzoic acid 4-heptylphenyl ester, 4-Heptyl-benzoic acid 4-heptyl-phenyl ester
| Molecular Formula | C27H38O2 |
|---|---|
| Molecular Weight | 394.29 g/mol |
| LogP | 7.9316 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 394.28717 |
| Heavy Atoms | 29 |
| Complexity | 685.48267 |
Chemical Identifiers
| CAS Number | 79606-06-7 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCCCC |
Product Overview
4-Heptylphenyl 4-heptylbenzoate (CAS 79606-06-7), with molecular formula C27H38O2 and molecular weight 394.29 g/mol. IUPAC: (4-heptylphenyl) 4-heptylbenzoate.
Chemical Property Profile of 4-Heptylphenyl 4-heptylbenzoate
Property Insights of 4-Heptylphenyl 4-heptylbenzoate
The XLogP value of 7.9316 indicates that 4-Heptylphenyl 4-heptylbenzoate 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-Heptylphenyl 4-heptylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptylphenyl 4-heptylbenzoate 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-Heptylphenyl 4-heptylbenzoate?
The CAS number of 4-Heptylphenyl 4-heptylbenzoate is 79606-06-7.
What is the molecular formula of 4-Heptylphenyl 4-heptylbenzoate?
The molecular formula of 4-Heptylphenyl 4-heptylbenzoate is C27H38O2.
What is the molecular weight of 4-Heptylphenyl 4-heptylbenzoate?
The molecular weight of 4-Heptylphenyl 4-heptylbenzoate is 394.29 g/mol.
Where can I buy 4-Heptylphenyl 4-heptylbenzoate?
You can request a quote for 4-Heptylphenyl 4-heptylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptylphenyl 4-heptylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptylphenyl 4-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.