![3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one structure](/static/products/309/309923-60-2.png)
3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
TL;DR: 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 309923-60-2) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
Also Known As: A2277/0095916, 3-benzyl-2-mercapto-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-benzyl-2-sulfanyl-3,6,7,8,9-pentahydropyrimidino[4,5-b]quinolin-4-one, 3-BENZYL-2-SULFANYL-3H,4H,6H,7H,8H,9H-PYRIMIDO[4,5-B]QUINOLIN-4-ONE
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.38119 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 988.8047 |
Chemical Identifiers
| CAS Number | 309923-60-2 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 309923-60-2), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: 3-benzyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Property Insights of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
The XLogP value of 3.38119 indicates that 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-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-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The CAS number of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 309923-60-2.
What is the molecular formula of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular formula of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is C18H17N3OS.
What is the molecular weight of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular weight of 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 323.11 g/mol.
Where can I buy 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
You can request a quote for 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.