5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 444773-77-7) is a chemical compound with molecular formula C23H17FN2O4S and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H17FN2O4S |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 3.8274 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.0893 |
| Heavy Atoms | 31 |
| Complexity | 1266.4163 |
Chemical Identifiers
| CAS Number | 444773-77-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F)OC |
Product Overview
5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 444773-77-7), with molecular formula C23H17FN2O4S and molecular weight 436.09 g/mol. IUPAC: 5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.8274 indicates that 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 444773-77-7.
What is the molecular formula of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C23H17FN2O4S.
What is the molecular weight of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 436.09 g/mol.
Where can I buy 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-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-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2,7-dimethoxynaphthalen-1-yl)methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.