![3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536703-99-8.webp)
3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536703-99-8) is a chemical compound with molecular formula C19H17N3OS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: IFLab1_002444, 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-phenyl-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-phenyl-2-(propylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0153
| Molecular Formula | C19H17N3OS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 4.3691 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10922 |
| Heavy Atoms | 24 |
| Complexity | 1066.5553 |
Chemical Identifiers
| CAS Number | 536703-99-8 |
|---|---|
| SMILES | CCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC4=CC=CC=C42 |
Product Overview
3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536703-99-8), with molecular formula C19H17N3OS and molecular weight 335.11 g/mol. IUPAC: 3-phenyl-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.3691 indicates that 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536703-99-8.
What is the molecular formula of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H17N3OS.
What is the molecular weight of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 335.11 g/mol.
Where can I buy 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.