Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester
TL;DR: Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester (CAS 50802-53-4) is a chemical compound with molecular formula C25H34O3 and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-heptoxyphenyl) 4-pentylbenzoate
Also Known As: 4-n-Heptyloxyphenol 4-n-pentylbenzoate, 4-Pentylbenzoicacid4- phenylester, (4-heptoxyphenyl) 4-pentylbenzoate, Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester, 4-(HEPTYLOXY)PHENYL 4-PENTYLBENZOATE
| Molecular Formula | C25H34O3 |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 6.9877 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.2508 |
| Heavy Atoms | 28 |
| Complexity | 673.9441 |
Chemical Identifiers
| CAS Number | 50802-53-4 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC |
Product Overview
Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester (CAS 50802-53-4), with molecular formula C25H34O3 and molecular weight 382.25 g/mol. IUPAC: (4-heptoxyphenyl) 4-pentylbenzoate.
Chemical Property Profile of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester
Property Insights of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester
The XLogP value of 6.9877 indicates that Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester 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 Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester?
The CAS number of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester is 50802-53-4.
What is the molecular formula of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester?
The molecular formula of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester is C25H34O3.
What is the molecular weight of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester?
The molecular weight of Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester is 382.25 g/mol.
Where can I buy Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester?
You can request a quote for Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-pentyl-, 4-(heptyloxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.