![3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one structure](/static/products/578/578745-05-8.png)
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
TL;DR: 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one (CAS 578745-05-8) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
Also Known As: 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one, 3-ethyl-2-mercapto-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, A3666/0155412, 3-ethyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-ethyl-2-thioxo-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.35279 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 729.3194 |
Chemical Identifiers
| CAS Number | 578745-05-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(NC1=S)N=C3CCCCC3=C2 |
Product Overview
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one (CAS 578745-05-8), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
Property Insights of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
The XLogP value of 2.35279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-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-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one?
The CAS number of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one is 578745-05-8.
What is the molecular formula of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one?
The molecular formula of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one is C13H15N3OS.
What is the molecular weight of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one?
The molecular weight of 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one is 261.09 g/mol.
Where can I buy 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one?
You can request a quote for 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-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-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.