![3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536717-21-2.webp)
3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 536717-21-2) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-nitrophenyl)-2-(propylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-1093, 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(4-nitrophenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.2773 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1211.5608 |
Chemical Identifiers
| CAS Number | 536717-21-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42 |
Product Overview
3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 536717-21-2), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.2773 indicates that 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one 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 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 536717-21-2.
What is the molecular formula of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is C19H16N4O3S.
What is the molecular weight of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 380.09 g/mol.
Where can I buy 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.