![9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/727/727402-06-4.png)
9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 727402-06-4) is a chemical compound with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chloro-5-nitrophenyl)-2-ethylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(2-CHLORO-5-NITROPHENYL)-2-(ETHYLSULFANYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(2-chloro-5-nitrophenyl)-2-(ethylthio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(2-chloro-5-nitrophenyl)-2-ethylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C17H16ClN5O3S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 3.9737 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06622 |
| Heavy Atoms | 27 |
| Complexity | 986.94366 |
Chemical Identifiers
| CAS Number | 727402-06-4 |
|---|---|
| SMILES | CCSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
Product Overview
9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 727402-06-4), with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol. IUPAC: 9-(2-chloro-5-nitrophenyl)-2-ethylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 3.9737 indicates that 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 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 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 727402-06-4.
What is the molecular formula of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C17H16ClN5O3S.
What is the molecular weight of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 405.07 g/mol.
Where can I buy 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.