![3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one structure](/static/products/373/373373-25-2.png)
3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one
TL;DR: 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one (CAS 373373-25-2) is a chemical compound with molecular formula C14H15N3OS and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
Also Known As: 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one, 3-(prop-2-en-1-yl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-prop-2-enyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
| Molecular Formula | C14H15N3OS |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.51889 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0936 |
| Heavy Atoms | 19 |
| Complexity | 772.5803 |
Chemical Identifiers
| CAS Number | 373373-25-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(NC1=S)N=C3CCCCC3=C2 |
Product Overview
3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one (CAS 373373-25-2), with molecular formula C14H15N3OS and molecular weight 273.09 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one
Property Insights of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one
The XLogP value of 2.51889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-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-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one?
The CAS number of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one is 373373-25-2.
What is the molecular formula of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one?
The molecular formula of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one is C14H15N3OS.
What is the molecular weight of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one?
The molecular weight of 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one is 273.09 g/mol.
Where can I buy 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one?
You can request a quote for 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-thioxo-2,3,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.