4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
TL;DR: 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid (CAS 13335-38-1) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
Also Known As: 4-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid, 2H-Pyran-4-acetic acid, 4-carboxytetrahydro-2,6-dimethyl-, 2H-Pyran-4-aceticacid, 4-carboxytetrahydro-2,6-dimethyl-, 2,6-Dimethyl-tetrahydropyran-carbonsaeure-(4)-essigsaeure-(4)
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 13335-38-1 |
|---|---|
| SMILES | CC1CC(CC(O1)C)(CC(=O)O)C(=O)O |
| InChIKey | NRMOEYZJVUBLMB-UHFFFAOYSA-N |
Product Overview
4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid (CAS 13335-38-1), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 4-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid.
Chemical Property Profile of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
Property Insights of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid. Following Lipinski's Rule of Five, 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid has 2 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 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid?
The CAS number of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid is 13335-38-1.
What is the molecular formula of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid?
The molecular formula of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid is C10H16O5.
What is the molecular weight of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid?
The molecular weight of 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid is 216.10 g/mol.
Where can I buy 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid?
You can request a quote for 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.