![2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione structure](/static/products/6239/62391-05-3.webp)
2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione
TL;DR: 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione (CAS 62391-05-3) is a chemical compound with molecular formula C16H10ClNO6S and molecular weight 378.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione
Also Known As: 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione, 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methyli, 1,6-dione, 2-(4-chlorophenyl)-2-methyl-5-[(5-nitro-2-thienyl)methylene]-
| Molecular Formula | C16H10ClNO6S |
|---|---|
| Molecular Weight | 378.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.99173 |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 62391-05-3 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C3=CC=C(C=C3)Cl |
| InChIKey | SSBCGWAIELJLRY-UHFFFAOYSA-N |
Product Overview
2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione (CAS 62391-05-3), with molecular formula C16H10ClNO6S and molecular weight 378.99 g/mol. IUPAC: 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione
Property Insights of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione
The XLogP value of 4.4 indicates that 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 7 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-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione?
The CAS number of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione is 62391-05-3.
What is the molecular formula of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione?
The molecular formula of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione is C16H10ClNO6S.
What is the molecular weight of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione?
The molecular weight of 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione is 378.99 g/mol.
Where can I buy 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione?
You can request a quote for 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-2-methyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.