![2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone structure](/static/products/900/900260-10-8.png)
2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
TL;DR: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone (CAS 900260-10-8) is a chemical compound with molecular formula C22H18ClN7OS2 and molecular weight 495.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenothiazin-10-yl)ethanone
Also Known As: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone, 2-(4-amino-5-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol-3-ylt hio))-1-(2-chlorophenothiazin-10-yl)ethan-1-one, 2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenothiazin-10-yl)ethanone, 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
| Molecular Formula | C22H18ClN7OS2 |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 4.4457 |
| Topological Polar Surface Area | 105.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.07028 |
| Heavy Atoms | 33 |
| Complexity | 1399.3997 |
Chemical Identifiers
| CAS Number | 900260-10-8 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC(=O)N4C5=CC=CC=C5SC6=C4C=C(C=C6)Cl |
Product Overview
2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone (CAS 900260-10-8), with molecular formula C22H18ClN7OS2 and molecular weight 495.07 g/mol. IUPAC: 2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-chlorophenothiazin-10-yl)ethanone.
Chemical Property Profile of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
Property Insights of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
The XLogP value of 4.4457 indicates that 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone. Following Lipinski's Rule of Five, 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone has 2 hydrogen bond donor(s) and 7 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-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone?
The CAS number of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone is 900260-10-8.
What is the molecular formula of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone?
The molecular formula of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone is C22H18ClN7OS2.
What is the molecular weight of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone?
The molecular weight of 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone is 495.07 g/mol.
Where can I buy 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone?
You can request a quote for 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.