7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene
TL;DR: 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene (CAS 199277-97-9) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene, AO-476/43009101, 9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 10-thia-3,5,6,8-tetraazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene, 10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.8277 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 666.4727 |
Chemical Identifiers
| CAS Number | 199277-97-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C4=NC=NN4C=N3 |
Product Overview
7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene (CAS 199277-97-9), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.
Chemical Property Profile of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene
Property Insights of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene
The XLogP value of 1.8277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene. With a topological polar surface area (TPSA) of 43.08 Ų, 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene has 0 hydrogen bond donor(s) and 4 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 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene?
The CAS number of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene is 199277-97-9.
What is the molecular formula of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene?
The molecular formula of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene is C10H8N4S.
What is the molecular weight of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene?
The molecular weight of 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene is 216.05 g/mol.
Where can I buy 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene?
You can request a quote for 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Propano-6-thia-1,3,3a,5-tetraaza-as-indacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.