3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine
TL;DR: 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine (CAS 53461-44-2) is a chemical compound with molecular formula C12H8N4O6S and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dinitro-5,5-dioxodibenzothiophene-2,8-diamine
Also Known As: ChemDiv1_019193, 3,7-dinitro-5,5-dioxodibenzothiophene-2,8-diamine, 3,7-dinitrodibenzo[b,d]thiophene-2,8-diamine 5,5-dioxide, 2,8-Diamino-3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
| Molecular Formula | C12H8N4O6S |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.01645 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 53461-44-2 |
|---|---|
| SMILES | C1=C2C3=CC(=C(C=C3S(=O)(=O)C2=CC(=C1N)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | HPBOIMQILBMZPX-UHFFFAOYSA-N |
Product Overview
3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine (CAS 53461-44-2), with molecular formula C12H8N4O6S and molecular weight 336.02 g/mol. IUPAC: 3,7-dinitro-5,5-dioxodibenzothiophene-2,8-diamine.
Chemical Property Profile of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine
Property Insights of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine. The TPSA of 186.0 Ų indicates high polarity, suggesting 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine has 2 hydrogen bond donor(s) and 8 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 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine?
The CAS number of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine is 53461-44-2.
What is the molecular formula of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine?
The molecular formula of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine is C12H8N4O6S.
What is the molecular weight of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine?
The molecular weight of 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine is 336.02 g/mol.
Where can I buy 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine?
You can request a quote for 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dinitro-5,5-dioxodibenzothiophene-2,8-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.