![12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene structure](/static/products/3073/307341-41-9.webp)
12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
TL;DR: 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 307341-41-9) is a chemical compound with molecular formula C16H12N6S2 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(1-phenyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene, 4-(1-phenyl-1,2,3,4-tetraazol-5-ylthio)-5,6,7-trihydrocyclopenta[2,1-d]pyrimid ino[4,5-b]thiophene
| Molecular Formula | C16H12N6S2 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 3.3069 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0565 |
| Heavy Atoms | 24 |
| Complexity | 1023.66833 |
Chemical Identifiers
| CAS Number | 307341-41-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SC4=NN=NN4C5=CC=CC=C5 |
Product Overview
12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 307341-41-9), with molecular formula C16H12N6S2 and molecular weight 352.06 g/mol. IUPAC: 12-(1-phenyltetrazol-5-yl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
Property Insights of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
The XLogP value of 3.3069 indicates that 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene. Following Lipinski's Rule of Five, 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene has 0 hydrogen bond donor(s) and 7 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 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The CAS number of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 307341-41-9.
What is the molecular formula of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular formula of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is C16H12N6S2.
What is the molecular weight of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular weight of 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 352.06 g/mol.
Where can I buy 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
You can request a quote for 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.