![(4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone structure](/static/products/674/674337-33-8.png)
(4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone
TL;DR: (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone (CAS 674337-33-8) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-phenylmethanone
Also Known As: (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone, (4-amino-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-phenylmethanone, (4-imino-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone, Hydrosulfide, (3-benzoyl-3,4,6,7,8,9-hexahydro-4-iminopyrimido[4,5-b]quinolin-2-yl)-
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.31029 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 1010.94275 |
Chemical Identifiers
| CAS Number | 674337-33-8 |
|---|---|
| SMILES | C1CCC2=NC3=NC(=S)N(C(=C3C=C2C1)N)C(=O)C4=CC=CC=C4 |
Product Overview
(4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone (CAS 674337-33-8), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: (4-amino-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-phenylmethanone.
Chemical Property Profile of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone
Property Insights of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone
The XLogP value of 3.31029 indicates that (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone. Following Lipinski's Rule of Five, (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone 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 (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone?
The CAS number of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone is 674337-33-8.
What is the molecular formula of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone?
The molecular formula of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone is C18H16N4OS.
What is the molecular weight of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone?
The molecular weight of (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone is 336.10 g/mol.
Where can I buy (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone?
You can request a quote for (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-imino-2-thioxo-1,2,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-3(4H)-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.