Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
TL;DR: Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester (CAS 65629-01-8) is a chemical compound with molecular formula C26H36O4 and molecular weight 412.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentoxyphenyl) 4-octoxybenzoate
Also Known As: ChemDiv1_018681, DivK1c_003465, (4-pentoxyphenyl) 4-octoxybenzoate, Benzoicacid,4- -,4- phenylester, CDS1_002425
| Molecular Formula | C26H36O4 |
|---|---|
| Molecular Weight | 412.26 g/mol |
| LogP | 7.2141 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 412.26135 |
| Heavy Atoms | 30 |
| Complexity | 706.81836 |
Chemical Identifiers
| CAS Number | 65629-01-8 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCC |
Product Overview
Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester (CAS 65629-01-8), with molecular formula C26H36O4 and molecular weight 412.26 g/mol. IUPAC: (4-pentoxyphenyl) 4-octoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
Property Insights of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
The XLogP value of 7.2141 indicates that Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester has 0 hydrogen bond donor(s) and 4 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-(octyloxy)-, 4-(pentyloxy)phenyl ester?
The CAS number of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester is 65629-01-8.
What is the molecular formula of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester?
The molecular formula of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester is C26H36O4.
What is the molecular weight of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester?
The molecular weight of Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester is 412.26 g/mol.
Where can I buy Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester?
You can request a quote for Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)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-(octyloxy)-, 4-(pentyloxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.