1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene
TL;DR: 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene (CAS 85579-27-7) is a chemical compound with molecular formula C5H4N2O4S2 and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dioxa-4λ4,9λ6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide
Also Known As: Hep-IV, 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene, 3,5-dioxa-4lambda4,9lambda6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide, 5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene, 6,6-dioxide, 5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene,6,6-dioxide
| Molecular Formula | C5H4N2O4S2 |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.96124 |
| Heavy Atoms | 13 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 85579-27-7 |
|---|---|
| SMILES | C1C2=NOS3=C2C(=NO3)CS1(=O)=O |
| InChIKey | IHDOGRRSSMKJIK-UHFFFAOYSA-N |
Product Overview
1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene (CAS 85579-27-7), with molecular formula C5H4N2O4S2 and molecular weight 219.96 g/mol. IUPAC: 3,5-dioxa-4λ4,9λ6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide.
Chemical Property Profile of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene
Property Insights of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene. Following Lipinski's Rule of Five, 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene 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 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene?
The CAS number of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene is 85579-27-7.
What is the molecular formula of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene?
The molecular formula of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene is C5H4N2O4S2.
What is the molecular weight of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene?
The molecular weight of 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene is 219.96 g/mol.
Where can I buy 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene?
You can request a quote for 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.