9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine
TL;DR: 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine (CAS 61607-78-1) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thia-2,4,5,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),14,16-hexaene
Also Known As: 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 9,10,11,13-Tetrahydrothiopyrano[3,4-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 9,10,11,13-tetrahydro-benzo[b]thiopyrano[3,4-f][1,2,4]triazo, 9,10,11,13-tetrahydro-benzo[b]thiopyrano[3,4-f][1,2,4]triazolo[4,3-d][1,4]diazepine, THIOPYRANO(3,4-C)-1,2,4-TRIAZOLO(4,3-A)(1,5)BENZODIAZEPINE, 9,10,11,13-TETRAHYDRO-
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 61607-78-1 |
|---|---|
| SMILES | C1CSCC2=C1NC3=CC=CC=C3N4C2=NN=C4 |
| InChIKey | BCXWQDAMPBYTRZ-UHFFFAOYSA-N |
Product Overview
9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine (CAS 61607-78-1), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 9-thia-2,4,5,13-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),14,16-hexaene.
Chemical Property Profile of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine
Property Insights of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine. Following Lipinski's Rule of Five, 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine 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 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine?
The CAS number of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine is 61607-78-1.
What is the molecular formula of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine?
The molecular formula of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine is C13H12N4S.
What is the molecular weight of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine?
The molecular weight of 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine is 256.08 g/mol.
Where can I buy 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine?
You can request a quote for 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 9,10,11,13-Tetrahydrothiopyrano(3,4-c)(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.