![12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene structure](/static/products/3073/307341-02-2.webp)
12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
TL;DR: 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 307341-02-2) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
Also Known As: 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene, F0306-0367, F0307-0284, 4-(1H-benzo[d][1,2,3]triazol-1-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-benzotriazolyl-2-methyl-5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thio phene
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 307341-02-2 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)N4C5=CC=CC=C5N=N4 |
| InChIKey | YVZOSDCFEJWUOO-UHFFFAOYSA-N |
Product Overview
12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene (CAS 307341-02-2), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 12-(benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
Chemical Property Profile of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
Property Insights of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene
The XLogP value of 3.8 indicates that 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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 5 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-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The CAS number of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 307341-02-2.
What is the molecular formula of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular formula of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is C16H13N5S.
What is the molecular weight of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene?
The molecular weight of 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraene is 307.09 g/mol.
Where can I buy 12-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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-(1H-1,2,3-benzotriazol-1-yl)-10-methyl-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.