p-Phenylene bis(p-heptyloxybenzoate)
TL;DR: p-Phenylene bis(p-heptyloxybenzoate) (CAS 1819-00-7) is a chemical compound with molecular formula C34H42O6 and molecular weight 546.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-heptoxybenzoyl)oxyphenyl] 4-heptoxybenzoate
Also Known As: p-Phenylene bis(p-heptyloxybenzoate), p-PhenyleneBis(p-heptyloxybenzoate), 1,4-Phenylenebis-(4-heptyloxybenzoate), 1,4-Bis-(4-n-heptyloxy-benzoyloxy)-benzol, 1,4-Bis-<4-n-heptyloxy-benzoyloxy>-benzol
| Molecular Formula | C34H42O6 |
|---|---|
| Molecular Weight | 546.30 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 546.29816 |
| Heavy Atoms | 40 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 1819-00-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCC |
| InChIKey | WJBGUYCWAUPZAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Phenylene bis(p-heptyloxybenzoate) (CAS 1819-00-7), with molecular formula C34H42O6 and molecular weight 546.30 g/mol. IUPAC: [4-(4-heptoxybenzoyl)oxyphenyl] 4-heptoxybenzoate.
Chemical Property Profile of p-Phenylene bis(p-heptyloxybenzoate)
Property Insights of p-Phenylene bis(p-heptyloxybenzoate)
The XLogP value of 10.4 indicates that p-Phenylene bis(p-heptyloxybenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Phenylene bis(p-heptyloxybenzoate). Following Lipinski's Rule of Five, p-Phenylene bis(p-heptyloxybenzoate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Phenylene bis(p-heptyloxybenzoate)?
The CAS number of p-Phenylene bis(p-heptyloxybenzoate) is 1819-00-7.
What is the molecular formula of p-Phenylene bis(p-heptyloxybenzoate)?
The molecular formula of p-Phenylene bis(p-heptyloxybenzoate) is C34H42O6.
What is the molecular weight of p-Phenylene bis(p-heptyloxybenzoate)?
The molecular weight of p-Phenylene bis(p-heptyloxybenzoate) is 546.30 g/mol.
Where can I buy p-Phenylene bis(p-heptyloxybenzoate)?
You can request a quote for p-Phenylene bis(p-heptyloxybenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenylene bis(p-heptyloxybenzoate)?
Yes, KEHONG BIO provides custom synthesis services for p-Phenylene bis(p-heptyloxybenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.