![[(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid structure](/static/products/373/373369-07-4.png)
[(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid
TL;DR: [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid (CAS 373369-07-4) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid
Also Known As: [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid, 2-((3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetic acid, 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 2.8953 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 1063.4952 |
Chemical Identifiers
| CAS Number | 373369-07-4 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=N3)SCC(=O)O)CC4=CC=CC=C4 |
Product Overview
[(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid (CAS 373369-07-4), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid
Property Insights of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid
The XLogP value of 2.8953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 5 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-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid?
The CAS number of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid is 373369-07-4.
What is the molecular formula of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid?
The molecular formula of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid is C20H19N3O3S.
What is the molecular weight of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid?
The molecular weight of [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid is 381.11 g/mol.
Where can I buy [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid?
You can request a quote for [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.