(2,6-Dioxocyclohexyl)acetic acid
TL;DR: (2,6-Dioxocyclohexyl)acetic acid (CAS 67987-40-0) 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-(2,6-dioxocyclohexyl)acetic acid
Also Known As: (2,6-dioxocyclohexyl)acetic acid, 2-(2,6-dioxocyclohexyl)acetic acid, KST-1A7477, 1(2H)-Pyrimidineaceticacid,3,6-dihydro-2,6-dioxo
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | -0.5 |
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 67987-40-0 |
|---|---|
| SMILES | C1CC(=O)C(C(=O)C1)CC(=O)O |
| InChIKey | WPIPJPZTGUKJBA-UHFFFAOYSA-N |
Product Overview
(2,6-Dioxocyclohexyl)acetic acid (CAS 67987-40-0), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 2-(2,6-dioxocyclohexyl)acetic acid.
Chemical Property Profile of (2,6-Dioxocyclohexyl)acetic acid
Property Insights of (2,6-Dioxocyclohexyl)acetic acid
The XLogP value of -0.5 indicates that (2,6-Dioxocyclohexyl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-Dioxocyclohexyl)acetic acid. Following Lipinski's Rule of Five, (2,6-Dioxocyclohexyl)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 (2,6-Dioxocyclohexyl)acetic acid?
The CAS number of (2,6-Dioxocyclohexyl)acetic acid is 67987-40-0.
What is the molecular formula of (2,6-Dioxocyclohexyl)acetic acid?
The molecular formula of (2,6-Dioxocyclohexyl)acetic acid is C8H10O4.
What is the molecular weight of (2,6-Dioxocyclohexyl)acetic acid?
The molecular weight of (2,6-Dioxocyclohexyl)acetic acid is 170.06 g/mol.
Where can I buy (2,6-Dioxocyclohexyl)acetic acid?
You can request a quote for (2,6-Dioxocyclohexyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dioxocyclohexyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dioxocyclohexyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.