4-n-Hexoxyphenyl-4'-n-decyloxybenzoate
TL;DR: 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate (CAS 68162-09-4) is a chemical compound with molecular formula C29H42O4 and molecular weight 454.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hexoxyphenyl) 4-decoxybenzoate
Also Known As: 4-(Hexyloxy)phenyl 4-(decyloxy)benzoate, ChemDiv1_018731, 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate, DivK1c_003515, (4-hexoxyphenyl) 4-decoxybenzoate
| Molecular Formula | C29H42O4 |
|---|---|
| Molecular Weight | 454.31 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 454.30832 |
| Heavy Atoms | 33 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 68162-09-4 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCC |
| InChIKey | JBMARNOUPBCWIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-n-Hexoxyphenyl-4'-n-decyloxybenzoate (CAS 68162-09-4), with molecular formula C29H42O4 and molecular weight 454.31 g/mol. IUPAC: (4-hexoxyphenyl) 4-decoxybenzoate.
Chemical Property Profile of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate
Property Insights of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate
The XLogP value of 10.1 indicates that 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate 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 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate?
The CAS number of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate is 68162-09-4.
What is the molecular formula of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate?
The molecular formula of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate is C29H42O4.
What is the molecular weight of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate?
The molecular weight of 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate is 454.31 g/mol.
Where can I buy 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate?
You can request a quote for 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.