1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide
TL;DR: 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide (CAS 85579-26-6) is a chemical compound with molecular formula C5H4N2O3S2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dioxa-4λ4,9λ4-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9-oxide
Also Known As: Hep-III, 1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide, J1.211.893G, 3,5-dioxa-4lambda4,9lambda4-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9-oxide, 5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene, 6-oxide
| Molecular Formula | C5H4N2O3S2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | -0.2076 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.96634 |
| Heavy Atoms | 12 |
| Complexity | 352.15457 |
Chemical Identifiers
| CAS Number | 85579-26-6 |
|---|---|
| SMILES | C1C2=NOS3=C2C(=NO3)CS1=O |
Product Overview
1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide (CAS 85579-26-6), with molecular formula C5H4N2O3S2 and molecular weight 203.97 g/mol. IUPAC: 3,5-dioxa-4λ4,9λ4-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9-oxide.
Chemical Property Profile of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide
Property Insights of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide
The XLogP value of -0.2076 indicates that 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide. Following Lipinski's Rule of Five, 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide has 0 hydrogen bond donor(s) and 5 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-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide?
The CAS number of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide is 85579-26-6.
What is the molecular formula of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide?
The molecular formula of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide is C5H4N2O3S2.
What is the molecular weight of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide?
The molecular weight of 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide is 203.97 g/mol.
Where can I buy 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide?
You can request a quote for 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide 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-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.