![3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one structure](/static/products/3792/379246-43-2.webp)
3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one
TL;DR: 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one (CAS 379246-43-2) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 4-Amino-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one, 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one, 3-amino-3,5,6,7,8,9-hexahydrocyclohepta[2,1-d]pyrimidino[4,5-b]thiophen-4-one, 4-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 3-amino-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4407 |
| Topological Polar Surface Area | 60.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 599.0309 |
Chemical Identifiers
| CAS Number | 379246-43-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)N |
Product Overview
3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one (CAS 379246-43-2), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 4-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one
Property Insights of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one
The XLogP value of 1.4407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one. The TPSA of 60.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one. Following Lipinski's Rule of Five, 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-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 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one?
The CAS number of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one is 379246-43-2.
What is the molecular formula of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one?
The molecular formula of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one is C11H13N3OS.
What is the molecular weight of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one?
The molecular weight of 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one is 235.08 g/mol.
Where can I buy 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one?
You can request a quote for 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.