![3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/888/888434-57-9.png)
3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 888434-57-9) is a chemical compound with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F1882-1367, 3-(2-methoxyethyl)-2-(methylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(2-methoxyethyl)-2-(methylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(2-methoxyethyl)-2-(methylthio)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C14H15N3O2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.2461 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0885 |
| Heavy Atoms | 20 |
| Complexity | 822.2487 |
Chemical Identifiers
| CAS Number | 888434-57-9 |
|---|---|
| SMILES | COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC |
Product Overview
3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 888434-57-9), with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol. IUPAC: 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.2461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one. With a topological polar surface area (TPSA) of 59.91 Ų, 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 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-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 888434-57-9.
What is the molecular formula of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is C14H15N3O2S.
What is the molecular weight of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 289.09 g/mol.
Where can I buy 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(2-methoxyethyl)-2-methylsulfanyl-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-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyethyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.