1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester
TL;DR: 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester (CAS 73545-13-8) is a chemical compound with molecular formula C17H26O7 and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-trimethyl (3S,5S)-5-hexyl-4-oxocyclopentane-1,1,3-tricarboxylate
Also Known As: 1,4,4-Cyclopentanetricarboxylic acid, 2-oxo-3-hexyl-, trimethyl ester, 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester, 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, trimethyl ester, trimethyl (3S,5S)-5-hexyl-4-oxocyclopentane-1,1,3-tricarboxylate, RefChem:409642
| Molecular Formula | C17H26O7 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 1.6674 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.16785 |
| Heavy Atoms | 24 |
| Complexity | 481.1675 |
Chemical Identifiers
| CAS Number | 73545-13-8 |
|---|---|
| SMILES | CCCCCC[C@@H]1C(=O)[C@H](CC1(C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester (CAS 73545-13-8), with molecular formula C17H26O7 and molecular weight 342.17 g/mol. IUPAC: cis-trimethyl (3S,5S)-5-hexyl-4-oxocyclopentane-1,1,3-tricarboxylate.
Chemical Property Profile of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester
Property Insights of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester
The XLogP value of 1.6674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester. Following Lipinski's Rule of Five, 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester?
The CAS number of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester is 73545-13-8.
What is the molecular formula of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester?
The molecular formula of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester is C17H26O7.
What is the molecular weight of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester?
The molecular weight of 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester is 342.17 g/mol.
Where can I buy 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester?
You can request a quote for 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Cyclopentanetricarboxylic acid, 5-hexyl-4-oxo-, 1,1,3-trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.