![2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid structure](/static/products/5651/565192-24-7.webp)
2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid
TL;DR: 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid (CAS 565192-24-7) is a chemical compound with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid
Also Known As: 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid, 2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid, [6-(4-Chloro-phenyl)-2,3-dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl]-acetic acid, 2-((2-(4-Chlorophenyl)-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetic acid, 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid
| Molecular Formula | C17H13ClN2O2S2 |
|---|---|
| Molecular Weight | 376.01 g/mol |
| LogP | 4.6771 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0107 |
| Heavy Atoms | 24 |
| Complexity | 937.9087 |
Chemical Identifiers
| CAS Number | 565192-24-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC(=N3)C4=CC=C(C=C4)Cl)SCC(=O)O |
Product Overview
2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid (CAS 565192-24-7), with molecular formula C17H13ClN2O2S2 and molecular weight 376.01 g/mol. IUPAC: 2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid
Property Insights of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid
The XLogP value of 4.6771 indicates that 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid has 1 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 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid?
The CAS number of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid is 565192-24-7.
What is the molecular formula of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid is C17H13ClN2O2S2.
What is the molecular weight of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid is 376.01 g/mol.
Where can I buy 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.