2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid
TL;DR: 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid (CAS 36294-83-4) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5-trimethyl-1,3-dioxane-2-carboxylic acid
Also Known As: 2-carboxy-2,5,5-trimethyl-1,3-dioxane, 2,5,5-trimethyl-1,3-dioxane-2-carboxylic acid, J2.228.271I, 1,3-Dioxane-2-carboxylicacid, 2,5,5-trimethyl-
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 36294-83-4 |
|---|---|
| SMILES | CC1(COC(OC1)(C)C(=O)O)C |
| InChIKey | MNCPIECMLKYVHX-UHFFFAOYSA-N |
Product Overview
2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid (CAS 36294-83-4), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2,5,5-trimethyl-1,3-dioxane-2-carboxylic acid.
Chemical Property Profile of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid
Property Insights of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid has 1 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 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid?
The CAS number of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid is 36294-83-4.
What is the molecular formula of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid?
The molecular formula of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid is C8H14O4.
What is the molecular weight of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid?
The molecular weight of 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid is 174.09 g/mol.
Where can I buy 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid?
You can request a quote for 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5,5-Trimethyl-1,3-dioxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.