2-Oxo-2-(2-oxocyclohexyl)acetic acid
TL;DR: 2-Oxo-2-(2-oxocyclohexyl)acetic acid (CAS 771-12-0) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-(2-oxocyclohexyl)acetic acid
Also Known As: 2-Dioxocyclohexaneacetic acid, oxo(2-oxocyclohexyl)acetic acid, 2-oxo-2-(2-oxocyclohexyl)acetic acid, 2-oxocyclohexylglyoxylic acid, 2-(2-Oxocyclohexyl)glyoxylic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 771-12-0 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C(=O)C(=O)O |
| InChIKey | MYSYQFMSWWNJHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-2-(2-oxocyclohexyl)acetic acid (CAS 771-12-0), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 2-oxo-2-(2-oxocyclohexyl)acetic acid.
Chemical Property Profile of 2-Oxo-2-(2-oxocyclohexyl)acetic acid
Property Insights of 2-Oxo-2-(2-oxocyclohexyl)acetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(2-oxocyclohexyl)acetic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(2-oxocyclohexyl)acetic acid. Following Lipinski's Rule of Five, 2-Oxo-2-(2-oxocyclohexyl)acetic acid has 1 hydrogen bond donor(s) and 4 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-Oxo-2-(2-oxocyclohexyl)acetic acid?
The CAS number of 2-Oxo-2-(2-oxocyclohexyl)acetic acid is 771-12-0.
What is the molecular formula of 2-Oxo-2-(2-oxocyclohexyl)acetic acid?
The molecular formula of 2-Oxo-2-(2-oxocyclohexyl)acetic acid is C8H10O4.
What is the molecular weight of 2-Oxo-2-(2-oxocyclohexyl)acetic acid?
The molecular weight of 2-Oxo-2-(2-oxocyclohexyl)acetic acid is 170.06 g/mol.
Where can I buy 2-Oxo-2-(2-oxocyclohexyl)acetic acid?
You can request a quote for 2-Oxo-2-(2-oxocyclohexyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(2-oxocyclohexyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(2-oxocyclohexyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.