![12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene structure](/static/products/871/871807-29-3.png)
12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene
TL;DR: 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene (CAS 871807-29-3) is a chemical compound with molecular formula C18H15N5S2 and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(1-methylimidazol-2-yl)sulfanyl-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene
Also Known As: 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene, 4-(1-methylimidazol-2-ylthio)-2-(3-pyridyl)-5,6,7-trihydrocyclopenta[2,1-d]pyr imidino[4,5-b]thiophene
| Molecular Formula | C18H15N5S2 |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 4.1267 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.07687 |
| Heavy Atoms | 25 |
| Complexity | 1067.9624 |
Chemical Identifiers
| CAS Number | 871807-29-3 |
|---|---|
| SMILES | CN1C=CN=C1SC2=NC(=NC3=C2C4=C(S3)CCC4)C5=CN=CC=C5 |
Product Overview
12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene (CAS 871807-29-3), with molecular formula C18H15N5S2 and molecular weight 365.08 g/mol. IUPAC: 12-(1-methylimidazol-2-yl)sulfanyl-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene.
Chemical Property Profile of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene
Property Insights of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene
The XLogP value of 4.1267 indicates that 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene has 0 hydrogen bond donor(s) and 6 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-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene?
The CAS number of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene is 871807-29-3.
What is the molecular formula of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene?
The molecular formula of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene is C18H15N5S2.
What is the molecular weight of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene?
The molecular weight of 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene is 365.08 g/mol.
Where can I buy 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene?
You can request a quote for 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-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-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-10-(pyridin-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.