8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one
TL;DR: 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one (CAS 18774-49-7) is a chemical compound with molecular formula C10H6N2OS and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Benzo[4,5]thieno[2,3-d]pyrimidin-4-ol, BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, [1]benzothieno[2,3-d]pyrimidin-4-ol, [1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C10H6N2OS |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.1378 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.02008 |
| Heavy Atoms | 14 |
| Complexity | 668.2444 |
Chemical Identifiers
| CAS Number | 18774-49-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)N=CNC3=O |
Product Overview
8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one (CAS 18774-49-7), with molecular formula C10H6N2OS and molecular weight 202.02 g/mol. IUPAC: 3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one
Property Insights of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one
The XLogP value of 2.1378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one. With a topological polar surface area (TPSA) of 45.75 Ų, 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one has 1 hydrogen bond donor(s) and 3 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 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one?
The CAS number of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one is 18774-49-7.
What is the molecular formula of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one?
The molecular formula of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one is C10H6N2OS.
What is the molecular weight of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one?
The molecular weight of 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one is 202.02 g/mol.
Where can I buy 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one?
You can request a quote for 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5,10,12-pentaen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.