2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid
TL;DR: 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid (CAS 63702-41-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-2,6-dioxocyclohexyl)acetic acid
Also Known As: 2-(1-methyl-2,6-dioxocyclohexyl)acetic acid, (1-Methyl-2,6-dioxocyclohexyl)acetic acid, 1-Methyl-2,6-dioxocyclohexaneacetic acid, 2-(1-methyl-2,6-dioxocyclohexyl)aceticacid, J1.255.041C
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 63702-41-0 |
|---|---|
| SMILES | CC1(C(=O)CCCC1=O)CC(=O)O |
| InChIKey | RFKVXMNVANQFNE-UHFFFAOYSA-N |
Product Overview
2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid (CAS 63702-41-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 2-(1-methyl-2,6-dioxocyclohexyl)acetic acid.
Chemical Property Profile of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid
Property Insights of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid
The XLogP value of -0.1 indicates that 2-(1-Methyl-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-(1-Methyl-2,6-dioxocyclohexyl)acetic acid. Following Lipinski's Rule of Five, 2-(1-Methyl-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-(1-Methyl-2,6-dioxocyclohexyl)acetic acid?
The CAS number of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid is 63702-41-0.
What is the molecular formula of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid?
The molecular formula of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid is C9H12O4.
What is the molecular weight of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid?
The molecular weight of 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid is 184.07 g/mol.
Where can I buy 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid?
You can request a quote for 2-(1-Methyl-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-(1-Methyl-2,6-dioxocyclohexyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-2,6-dioxocyclohexyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.