1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene
TL;DR: 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene (CAS 85579-17-5) is a chemical compound with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dioxa-4λ4,9-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene
Also Known As: Hep-II, 1,7-Dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene, 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo pentalene, 3,5-dioxa-4lambda4,9-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene, 5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene
| Molecular Formula | C5H4N2O2S2 |
|---|---|
| Molecular Weight | 187.97 g/mol |
| LogP | 0.7769 |
| Topological Polar Surface Area | 43.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.97142 |
| Heavy Atoms | 11 |
| Complexity | 292.44412 |
Chemical Identifiers
| CAS Number | 85579-17-5 |
|---|---|
| SMILES | C1C2=NOS3=C2C(=NO3)CS1 |
Product Overview
1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene (CAS 85579-17-5), with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol. IUPAC: 3,5-dioxa-4λ4,9-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene.
Chemical Property Profile of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene
Property Insights of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene
The XLogP value of 0.7769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene. With a topological polar surface area (TPSA) of 43.18 Ų, 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene 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?
The CAS number of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene is 85579-17-5.
What is the molecular formula of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene?
The molecular formula of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene is C5H4N2O2S2.
What is the molecular weight of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene?
The molecular weight of 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene is 187.97 g/mol.
Where can I buy 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene?
You can request a quote for 1,7-dioxa-2,6-diaza-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-4,7a-dithia-3H,5H-benzo(cd)pentalene?
Yes, KEHONG BIO provides custom synthesis services for 1,7-dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.