![13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one structure](/static/products/6739/67390-32-3.webp)
13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one
TL;DR: 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one (CAS 67390-32-3) is a chemical compound with molecular formula C11H15N3OS and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one
Also Known As: 1,2,3,4,7,8,10,11-octahydropyrido[3,4]pyrimido[4,5-a][1,4]th, 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one, 1,2,3,4,7,8,10,11-Octahydro-5H-pyrido[2',3':4,5]pyrimido[1,2-d][1,4]thiazepin-5-one
| Molecular Formula | C11H15N3OS |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.09358 |
| Heavy Atoms | 16 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 67390-32-3 |
|---|---|
| SMILES | C1CC2=C(NC1)N=C3CCSCCN3C2=O |
| InChIKey | FAILTMBJMVTSRG-UHFFFAOYSA-N |
Product Overview
13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one (CAS 67390-32-3), with molecular formula C11H15N3OS and molecular weight 237.09 g/mol. IUPAC: 13-thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one.
Chemical Property Profile of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one
Property Insights of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one. Following Lipinski's Rule of Five, 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one has 1 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 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one?
The CAS number of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one is 67390-32-3.
What is the molecular formula of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one?
The molecular formula of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one is C11H15N3OS.
What is the molecular weight of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one?
The molecular weight of 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one is 237.09 g/mol.
Where can I buy 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one?
You can request a quote for 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 13-Thia-1,7,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),9-dien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.