5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 575469-10-2) is a chemical compound with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C23H23N3O2S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 3.2381 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.1511 |
| Heavy Atoms | 29 |
| Complexity | 990.03796 |
Chemical Identifiers
| CAS Number | 575469-10-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)C(=O)N(C1=S)C |
Product Overview
5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 575469-10-2), with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol. IUPAC: 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.2381 indicates that 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 4 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 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 575469-10-2.
What is the molecular formula of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C23H23N3O2S.
What is the molecular weight of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 405.15 g/mol.
Where can I buy 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.