![3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione structure](/static/products/6239/62391-02-0.webp)
3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
TL;DR: 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 62391-02-0) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: 3-[(5-nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione, 9-[(5-nitrothiophen-2-yl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione
| Molecular Formula | C14H13NO6S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.04636 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 62391-02-0 |
|---|---|
| SMILES | C1CCC2(CC1)OC(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)O2 |
| InChIKey | NHLBNSALEQVPPQ-UHFFFAOYSA-N |
Product Overview
3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione (CAS 62391-02-0), with molecular formula C14H13NO6S and molecular weight 323.05 g/mol. IUPAC: 3-[(5-nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Property Insights of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
The XLogP value of 3.6 indicates that 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-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 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione. Following Lipinski's Rule of Five, 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-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 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The CAS number of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is 62391-02-0.
What is the molecular formula of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular formula of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is C14H13NO6S.
What is the molecular weight of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The molecular weight of 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione is 323.05 g/mol.
Where can I buy 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
You can request a quote for 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Nitrothiophen-2-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.