![2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5376/537668-23-8.webp)
2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-23-8) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, AB00668804-01, F0580-0058, 2-(ethylsulfanyl)-3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-ethylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.5268 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 787.8719 |
Chemical Identifiers
| CAS Number | 537668-23-8 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32 |
Product Overview
2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-23-8), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 2-ethylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 50.68 Ų, 2-(ethylthio)-3-methyl-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, 2-(ethylthio)-3-methyl-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 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 537668-23-8.
What is the molecular formula of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C13H13N3OS.
What is the molecular weight of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 259.08 g/mol.
Where can I buy 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-(ethylthio)-3-methyl-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 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.