![2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione structure](/static/products/6944/694473-94-4.webp)
2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
TL;DR: 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione (CAS 694473-94-4) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
Also Known As: 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione, 5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione, 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido(4,5-b)quinoline-4,6(1H,7H)-dione, 2-mercapto-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione, 5-(2-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.64169 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 1094.1361 |
Chemical Identifiers
| CAS Number | 694473-94-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC=CC=C4OC)C(=O)C1)C |
Product Overview
2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione (CAS 694473-94-4), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 5-(2-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione.
Chemical Property Profile of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Property Insights of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
The XLogP value of 3.64169 indicates that 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione. Following Lipinski's Rule of Five, 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione has 3 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 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione?
The CAS number of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione is 694473-94-4.
What is the molecular formula of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione?
The molecular formula of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione is C20H21N3O3S.
What is the molecular weight of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione?
The molecular weight of 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione is 383.13 g/mol.
Where can I buy 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione?
You can request a quote for 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,8,9,10-Hexahydro-5-(2-methoxyphenyl)-8,8-dimethyl-2-thioxopyrimido[4,5-b]quinoline-4,6(1H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.