![S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate structure](/static/products/844/844861-68-3.png)
S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate
TL;DR: S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate (CAS 844861-68-3) is a chemical compound with molecular formula C23H15ClN4O2S2 and molecular weight 478.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[7-(3-chlorophenyl)-8-oxo-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-3-yl] benzenecarbothioate
Also Known As: S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate, S-[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl] benzenecarbothioate
| Molecular Formula | C23H15ClN4O2S2 |
|---|---|
| Molecular Weight | 478.03 g/mol |
| LogP | 5.1695 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.0325 |
| Heavy Atoms | 32 |
| Complexity | 1586.9558 |
Chemical Identifiers
| CAS Number | 844861-68-3 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SC(=O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl |
Product Overview
S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate (CAS 844861-68-3), with molecular formula C23H15ClN4O2S2 and molecular weight 478.03 g/mol. IUPAC: S-[7-(3-chlorophenyl)-8-oxo-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-3-yl] benzenecarbothioate.
Chemical Property Profile of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate
Property Insights of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate
The XLogP value of 5.1695 indicates that S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate. Following Lipinski's Rule of Five, S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate?
The CAS number of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate is 844861-68-3.
What is the molecular formula of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate?
The molecular formula of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate is C23H15ClN4O2S2.
What is the molecular weight of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate?
The molecular weight of S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate is 478.03 g/mol.
Where can I buy S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate?
You can request a quote for S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl) benzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.