2-Oxocyclohexane-1,1,3,3-tetrapropionic acid
TL;DR: 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid (CAS 5107-67-5) is a chemical compound with molecular formula C18H26O9 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid
Also Known As: chlorodip-tolylphosphine, 2-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONIC ACID, 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid, 1,1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-, 3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid
| Molecular Formula | C18H26O9 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 386.15768 |
| Heavy Atoms | 27 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 5107-67-5 |
|---|---|
| SMILES | C1CC(C(=O)C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O |
| InChIKey | CIVMSMDSVPVXSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxocyclohexane-1,1,3,3-tetrapropionic acid (CAS 5107-67-5), with molecular formula C18H26O9 and molecular weight 386.16 g/mol. IUPAC: 3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid.
Chemical Property Profile of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid
Property Insights of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid. The TPSA of 166.0 Ų indicates high polarity, suggesting 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid has 4 hydrogen bond donor(s) and 9 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 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid?
The CAS number of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid is 5107-67-5.
What is the molecular formula of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid?
The molecular formula of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid is C18H26O9.
What is the molecular weight of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid?
The molecular weight of 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid is 386.16 g/mol.
Where can I buy 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid?
You can request a quote for 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.