4-Methyl-1,1-cyclohexanediacetic acid
TL;DR: 4-Methyl-1,1-cyclohexanediacetic acid (CAS 85179-91-5) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid
Also Known As: 4-Methyl-1,1-cyclohexanediacetic acid, 4-methylcyclohexane-1,1-diacetic acid, BAS 00162398, 2,2'-(4-Methylcyclohexane-1,1-diyl)diacetic acid, 4-Methylcyclohexane-1,1-diyldiacetic acid
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 85179-91-5 |
|---|---|
| SMILES | CC1CCC(CC1)(CC(=O)O)CC(=O)O |
| InChIKey | OUPWULBQQGPQFX-UHFFFAOYSA-N |
Product Overview
4-Methyl-1,1-cyclohexanediacetic acid (CAS 85179-91-5), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: 2-[1-(carboxymethyl)-4-methylcyclohexyl]acetic acid.
Chemical Property Profile of 4-Methyl-1,1-cyclohexanediacetic acid
Property Insights of 4-Methyl-1,1-cyclohexanediacetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1-cyclohexanediacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,1-cyclohexanediacetic acid. Following Lipinski's Rule of Five, 4-Methyl-1,1-cyclohexanediacetic acid has 2 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 4-Methyl-1,1-cyclohexanediacetic acid?
The CAS number of 4-Methyl-1,1-cyclohexanediacetic acid is 85179-91-5.
What is the molecular formula of 4-Methyl-1,1-cyclohexanediacetic acid?
The molecular formula of 4-Methyl-1,1-cyclohexanediacetic acid is C11H18O4.
What is the molecular weight of 4-Methyl-1,1-cyclohexanediacetic acid?
The molecular weight of 4-Methyl-1,1-cyclohexanediacetic acid is 214.12 g/mol.
Where can I buy 4-Methyl-1,1-cyclohexanediacetic acid?
You can request a quote for 4-Methyl-1,1-cyclohexanediacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,1-cyclohexanediacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1-cyclohexanediacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.