![2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione structure](/static/products/7687/76872-76-9.webp)
2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione
TL;DR: 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione (CAS 76872-76-9) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: 2,3-d]pyrimidine, 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione, 7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-diene-10,12-dione, 7-Thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione, 1,5,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3h)-dione
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 76872-76-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=O)N3 |
| InChIKey | SGBORRFYRBETEJ-UHFFFAOYSA-N |
Product Overview
2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione (CAS 76872-76-9), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione
Property Insights of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione. Following Lipinski's Rule of Five, 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione has 2 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 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione?
The CAS number of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione is 76872-76-9.
What is the molecular formula of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione?
The molecular formula of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione is C9H8N2O2S.
What is the molecular weight of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione?
The molecular weight of 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione is 208.03 g/mol.
Where can I buy 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione?
You can request a quote for 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diaza-1,2,3,4,5,6,7,8-octahydro-5-thiacyclopenta[a]indene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.