![2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide structure](/static/products/842/842968-29-0.png)
2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide
TL;DR: 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide (CAS 842968-29-0) is a chemical compound with molecular formula C14H9Cl2N7OS and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]acetamide
Also Known As: 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide, 2-((7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide, 2-[3-(3,4-dichlorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,5-e]pyrimidin -7-ylthio]acetamide, 2-{[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
| Molecular Formula | C14H9Cl2N7OS |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 2.3474 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.99664 |
| Heavy Atoms | 25 |
| Complexity | 1123.2202 |
Chemical Identifiers
| CAS Number | 842968-29-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C3=C(C=N2)C4=NN=C(N4C=N3)SCC(=O)N)Cl)Cl |
Product Overview
2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide (CAS 842968-29-0), with molecular formula C14H9Cl2N7OS and molecular weight 393.00 g/mol. IUPAC: 2-[[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide
Property Insights of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide
The XLogP value of 2.3474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide has 1 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 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide?
The CAS number of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide is 842968-29-0.
What is the molecular formula of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide?
The molecular formula of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide is C14H9Cl2N7OS.
What is the molecular weight of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide?
The molecular weight of 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide is 393.00 g/mol.
Where can I buy 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide?
You can request a quote for 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.