Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester
TL;DR: Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester (CAS 74161-80-1) is a chemical compound with molecular formula C30H44O3 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-octoxyphenyl) 4-nonylbenzoate
Also Known As: (4-octoxyphenyl) 4-nonylbenzoate, Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester, 4-(OCTYLOXY)PHENYL 4-NONYLBENZOATE
| Molecular Formula | C30H44O3 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 8.9382 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 452.32904 |
| Heavy Atoms | 33 |
| Complexity | 749.1161 |
Chemical Identifiers
| CAS Number | 74161-80-1 |
|---|---|
| SMILES | CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCCC |
Product Overview
Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester (CAS 74161-80-1), with molecular formula C30H44O3 and molecular weight 452.33 g/mol. IUPAC: (4-octoxyphenyl) 4-nonylbenzoate.
Chemical Property Profile of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester
Property Insights of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester
The XLogP value of 8.9382 indicates that Benzoic acid, 4-nonyl-, 4-(octyloxy)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-nonyl-, 4-(octyloxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-nonyl-, 4-(octyloxy)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-nonyl-, 4-(octyloxy)phenyl ester?
The CAS number of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester is 74161-80-1.
What is the molecular formula of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester?
The molecular formula of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester is C30H44O3.
What is the molecular weight of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester?
The molecular weight of Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester is 452.33 g/mol.
Where can I buy Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester?
You can request a quote for Benzoic acid, 4-nonyl-, 4-(octyloxy)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-nonyl-, 4-(octyloxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nonyl-, 4-(octyloxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.