![8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione structure](/static/products/6239/62391-01-9.webp)
8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
TL;DR: 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione (CAS 62391-01-9) is a chemical compound with molecular formula C13H11NO6S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
Also Known As: 8-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione, 8-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]de
| Molecular Formula | C13H11NO6S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.0307 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 62391-01-9 |
|---|---|
| SMILES | C1CCC2(C1)OC(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)O2 |
| InChIKey | LHOBNVRNEMCLDJ-UHFFFAOYSA-N |
Product Overview
8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione (CAS 62391-01-9), with molecular formula C13H11NO6S and molecular weight 309.03 g/mol. IUPAC: 8-[(5-nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
Property Insights of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
The XLogP value of 3.1 indicates that 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-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 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione. Following Lipinski's Rule of Five, 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-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 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The CAS number of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is 62391-01-9.
What is the molecular formula of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The molecular formula of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is C13H11NO6S.
What is the molecular weight of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The molecular weight of 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is 309.03 g/mol.
Where can I buy 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
You can request a quote for 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(5-Nitrothiophen-2-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.