![2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole structure](/static/products/161/161124-12-5.png)
2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole
TL;DR: 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole (CAS 161124-12-5) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-9H-pyrimido[4,5-b]indole
Also Known As: 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole, 2-methylsulfanyl-9H-pyrimido[4,5-b]indole, 2-(methylthio)-9H-pyrimido[4,5-b]indole, methyl 9H-pyrimido[4,5-b]indol-2-yl sulfide
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 2.833 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 629.85144 |
Chemical Identifiers
| CAS Number | 161124-12-5 |
|---|---|
| SMILES | CSC1=NC=C2C3=CC=CC=C3NC2=N1 |
Product Overview
2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole (CAS 161124-12-5), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 2-methylsulfanyl-9H-pyrimido[4,5-b]indole.
Chemical Property Profile of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole
Property Insights of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole
The XLogP value of 2.833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole. With a topological polar surface area (TPSA) of 41.57 Ų, 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(methylsulfanyl)-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-(methylsulfanyl)-9H-pyrimido[4,5-b]indole?
The CAS number of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole is 161124-12-5.
What is the molecular formula of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole?
The molecular formula of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole is C11H9N3S.
What is the molecular weight of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole?
The molecular weight of 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole is 215.05 g/mol.
Where can I buy 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole?
You can request a quote for 2-(methylsulfanyl)-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-(methylsulfanyl)-9H-pyrimido[4,5-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylsulfanyl)-9H-pyrimido[4,5-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.