Cyclohexanediacetic acid
TL;DR: Cyclohexanediacetic acid (CAS 4355-11-7) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(carboxymethyl)cyclohexyl]acetic acid
Also Known As: 1,1-Cyclohexanediacetic acid, 1,1-Cyclohexanediaceticacid, Cyclohexanediacetic acid, Gabapentin Impurity 2, Gabapentin Impurity 9
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 4355-11-7 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)O)CC(=O)O |
| InChIKey | YQPCHPBGAALCRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanediacetic acid (CAS 4355-11-7), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 2-[1-(carboxymethyl)cyclohexyl]acetic acid.
Chemical Property Profile of Cyclohexanediacetic acid
Property Insights of Cyclohexanediacetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanediacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanediacetic acid. Following Lipinski's Rule of Five, 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 Cyclohexanediacetic acid?
The CAS number of Cyclohexanediacetic acid is 4355-11-7.
What is the molecular formula of Cyclohexanediacetic acid?
The molecular formula of Cyclohexanediacetic acid is C10H16O4.
What is the molecular weight of Cyclohexanediacetic acid?
The molecular weight of Cyclohexanediacetic acid is 200.10 g/mol.
Where can I buy Cyclohexanediacetic acid?
You can request a quote for Cyclohexanediacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanediacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanediacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.