(Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577695-89-7) is a chemical compound with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-[(4-fluorophenyl)methyl]-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-1-(4-fluorobenzyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-[(4-fluorophenyl)methyl]-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H16FN3O2S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 3.1443 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.09473 |
| Heavy Atoms | 28 |
| Complexity | 1148.172 |
Chemical Identifiers
| CAS Number | 577695-89-7 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F |
Product Overview
(Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577695-89-7), with molecular formula C21H16FN3O2S and molecular weight 393.09 g/mol. IUPAC: (5Z)-1-[(4-fluorophenyl)methyl]-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.1443 indicates that (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-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 54.34 Ų, (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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 (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 577695-89-7.
What is the molecular formula of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H16FN3O2S.
What is the molecular weight of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 393.09 g/mol.
Where can I buy (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-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 (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-fluorobenzyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.