2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid
TL;DR: 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid (CAS 40105-35-9) is a chemical compound with molecular formula C18H24O6 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid
Also Known As: 2,2-bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid, Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid, 2,2-bis(4,4-dimethyl-2,6-dioxo-cyclohexyl)acetic Acid, alpha-(4,4-Dimethyl-2,6-dioxocyclohexyl)-4,4-dimethyl-2,6-dioxocyclohexaneacetic acid, I+/--(4,4-Dimethyl-2,6-dioxocyclohexyl)-4,4-dimethyl-2,6-dioxocyclohexaneacetic acid
| Molecular Formula | C18H24O6 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 1.836 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.1573 |
| Heavy Atoms | 24 |
| Complexity | 539.4202 |
Chemical Identifiers
| CAS Number | 40105-35-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C(=O)O)C |
Product Overview
2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid (CAS 40105-35-9), with molecular formula C18H24O6 and molecular weight 336.16 g/mol. IUPAC: 2,2-bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid.
Chemical Property Profile of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid
Property Insights of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid
The XLogP value of 1.836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid. Following Lipinski's Rule of Five, 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid has 1 hydrogen bond donor(s) and 5 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 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid?
The CAS number of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid is 40105-35-9.
What is the molecular formula of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid?
The molecular formula of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid is C18H24O6.
What is the molecular weight of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid?
The molecular weight of 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid is 336.16 g/mol.
Where can I buy 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid?
You can request a quote for 2,2-Bis(4,4-dimethyl-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 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.