4-Propylphenyl 4-heptylbenzoate
TL;DR: 4-Propylphenyl 4-heptylbenzoate (CAS 83846-94-0) is a chemical compound with molecular formula C23H30O2 and molecular weight 338.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propylphenyl) 4-heptylbenzoate
Also Known As: 4-Propylphenyl 4-heptylbenzoate, (4-propylphenyl) 4-heptylbenzoate, 4-Propylphenyl4-heptylbenzoate, EINECS 281-074-3, 4-Heptylbenzoic acid 4-propylphenyl ester
| Molecular Formula | C23H30O2 |
|---|---|
| Molecular Weight | 338.22 g/mol |
| LogP | 6.3712 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.22458 |
| Heavy Atoms | 25 |
| Complexity | 626.1473 |
Chemical Identifiers
| CAS Number | 83846-94-0 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC |
Product Overview
4-Propylphenyl 4-heptylbenzoate (CAS 83846-94-0), with molecular formula C23H30O2 and molecular weight 338.22 g/mol. IUPAC: (4-propylphenyl) 4-heptylbenzoate.
Chemical Property Profile of 4-Propylphenyl 4-heptylbenzoate
Property Insights of 4-Propylphenyl 4-heptylbenzoate
The XLogP value of 6.3712 indicates that 4-Propylphenyl 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-Propylphenyl 4-heptylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propylphenyl 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-Propylphenyl 4-heptylbenzoate?
The CAS number of 4-Propylphenyl 4-heptylbenzoate is 83846-94-0.
What is the molecular formula of 4-Propylphenyl 4-heptylbenzoate?
The molecular formula of 4-Propylphenyl 4-heptylbenzoate is C23H30O2.
What is the molecular weight of 4-Propylphenyl 4-heptylbenzoate?
The molecular weight of 4-Propylphenyl 4-heptylbenzoate is 338.22 g/mol.
Where can I buy 4-Propylphenyl 4-heptylbenzoate?
You can request a quote for 4-Propylphenyl 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-Propylphenyl 4-heptylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylphenyl 4-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.