1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid
TL;DR: 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid (CAS 100145-33-3) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid
Also Known As: (1-carboxy-4c-hydroxy-cyclohex-r-yl)-acetic acid, 1-(carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.08412 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.08412 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1CC(CCC1O)(CC(=O)O)C(=O)O |
| InChIKey | HFLCGVQZTAFYHD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid
Property Insights of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid
The XLogP value of -0.3 indicates that 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The CAS number of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid is 100145-33-3.
What is the molecular formula of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The molecular formula of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid is C9H14O5.
What is the molecular weight of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The molecular weight of 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid is 202.08412 g/mol.
Where can I buy 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid?
You can request a quote for 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(Carboxymethyl)-4-hydroxycyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.