![11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol structure](/static/products/6702/670270-89-0.webp)
11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol
TL;DR: 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol (CAS 670270-89-0) is a chemical compound with molecular formula C15H12N4S2 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
Also Known As: 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol, F1143-1518, 8-methyl-9-(p-tolyl)thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol, 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
| Molecular Formula | C15H12N4S2 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 4.28543 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.05035 |
| Heavy Atoms | 21 |
| Complexity | 1021.62463 |
Chemical Identifiers
| CAS Number | 670270-89-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC3=C2C4=NNC(=S)N4C=N3)C |
Product Overview
11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol (CAS 670270-89-0), with molecular formula C15H12N4S2 and molecular weight 312.05 g/mol. IUPAC: 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione.
Chemical Property Profile of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol
Property Insights of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol
The XLogP value of 4.28543 indicates that 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol 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 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol?
The CAS number of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol is 670270-89-0.
What is the molecular formula of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol?
The molecular formula of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol is C15H12N4S2.
What is the molecular weight of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol?
The molecular weight of 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol is 312.05 g/mol.
Where can I buy 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol?
You can request a quote for 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 11-methyl-12-(4-methylphenyl)-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.