5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
TL;DR: 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid (CAS 385375-27-9) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
Also Known As: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid, 1,3-dioxane-5-carboxylic acid, 5-methyl-2-(4-nitrophenyl)-, 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylicacid, A2419/0102595, 5-Methyl-2-(4-nitro-phenyl)-[1,3]dioxane-5-carboxylic acid
| Molecular Formula | C12H13NO6 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07428 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 385375-27-9 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | RHBFUMRYUOSFNM-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid (CAS 385375-27-9), with molecular formula C12H13NO6 and molecular weight 267.07 g/mol. IUPAC: 5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid.
Chemical Property Profile of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
Property Insights of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid?
The CAS number of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid is 385375-27-9.
What is the molecular formula of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid?
The molecular formula of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid is C12H13NO6.
What is the molecular weight of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid?
The molecular weight of 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid is 267.07 g/mol.
Where can I buy 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid?
You can request a quote for 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.