2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole
TL;DR: 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole (CAS 257633-03-7) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanyl-9H-pyrimido[4,5-b]indole
Also Known As: 2-(2-Propen-1-ylthio)-9H-pyrimido[4,5-b]indole, 2-(allylsulfanyl)-9H-pyrimido[4,5-b]indole, 2-prop-2-enylsulfanyl-9H-pyrimido[4,5-b]indole, 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole, 2-[(Prop-2-en-1-yl)sulfanyl]-9H-pyrimido[4,5-b]indole
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.3892 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 687.259 |
Chemical Identifiers
| CAS Number | 257633-03-7 |
|---|---|
| SMILES | C=CCSC1=NC=C2C3=CC=CC=C3NC2=N1 |
Product Overview
2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole (CAS 257633-03-7), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 2-prop-2-enylsulfanyl-9H-pyrimido[4,5-b]indole.
Chemical Property Profile of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole
Property Insights of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole
The XLogP value of 3.3892 indicates that 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole 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 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole?
The CAS number of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole is 257633-03-7.
What is the molecular formula of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole?
The molecular formula of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole is C13H11N3S.
What is the molecular weight of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole?
The molecular weight of 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole is 241.07 g/mol.
Where can I buy 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole?
You can request a quote for 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Propen-1-ylthio)-9H-pyrimido(4,5-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.