1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-
TL;DR: 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- (CAS 7401-30-1) is a chemical compound with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-5-nitro-1,3-dioxane
Also Known As: 2-(4-chlorophenyl)-5-methyl-5-nitro-1,3-dioxane, 1,3-DIOXANE, 2-(p-CHLOROPHENYL)-5-METHYL-5-NITRO-, 5-Nitro-5-methyl-2-(p-chlorophenyl)-1,3-dioxane, m-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-, 2- -5-methyl-5-nitro-1,3-dioxane
| Molecular Formula | C11H12ClNO4 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.04547 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 7401-30-1 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | MMHGEVPLISXPCY-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- (CAS 7401-30-1), with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-5-nitro-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-
Property Insights of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- has 0 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 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-?
The CAS number of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- is 7401-30-1.
What is the molecular formula of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-?
The molecular formula of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- is C11H12ClNO4.
What is the molecular weight of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-?
The molecular weight of 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- is 257.05 g/mol.
Where can I buy 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-?
You can request a quote for 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-(p-chlorophenyl)-5-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.