5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid
TL;DR: 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid (CAS 34870-88-7) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-decoxycarbonyl-2-octoxycarbonylbenzoic acid
Also Known As: 5-decoxycarbonyl-2-octoxycarbonylbenzoic acid, 5-decoxycarbonyl-2-octoxycarbonyl-benzoic acid, Decyl octyl hydrogen benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetricarboxylic acid, monodecyl monooctyl ester, 5-[(decyloxy)carbonyl]-2-[(octyloxy)carbonyl]benzoic acid
| Molecular Formula | C27H42O6 |
|---|---|
| Molecular Weight | 462.30 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 462.29813 |
| Heavy Atoms | 33 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 34870-88-7 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)O |
| InChIKey | SPJSLCOGEQKNOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid (CAS 34870-88-7), with molecular formula C27H42O6 and molecular weight 462.30 g/mol. IUPAC: 5-decoxycarbonyl-2-octoxycarbonylbenzoic acid.
Chemical Property Profile of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid
Property Insights of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid
The XLogP value of 9.1 indicates that 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid. Following Lipinski's Rule of Five, 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid has 1 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 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid?
The CAS number of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid is 34870-88-7.
What is the molecular formula of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid?
The molecular formula of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid is C27H42O6.
What is the molecular weight of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid?
The molecular weight of 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid is 462.30 g/mol.
Where can I buy 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid?
You can request a quote for 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Decoxycarbonyl-2-octoxycarbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.