![3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione structure](/static/products/896/896593-98-9.png)
3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
TL;DR: 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 896593-98-9) is a chemical compound with molecular formula C18H11FN2O2S and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-methylthiochromeno[2,3-d]pyrimidine-4,5-dione
Also Known As: 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione, 3-(4-fluorophenyl)-2-methylthiochromeno[2,3-d]pyrimidine-4,5-dione, 3-(4-fluorophenyl)-2-methyl-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione
| Molecular Formula | C18H11FN2O2S |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.40812 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.05252 |
| Heavy Atoms | 24 |
| Complexity | 1210.0654 |
Chemical Identifiers
| CAS Number | 896593-98-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)C3=CC=CC=C3S2)C(=O)N1C4=CC=C(C=C4)F |
Product Overview
3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 896593-98-9), with molecular formula C18H11FN2O2S and molecular weight 338.05 g/mol. IUPAC: 3-(4-fluorophenyl)-2-methylthiochromeno[2,3-d]pyrimidine-4,5-dione.
Chemical Property Profile of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Property Insights of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
The XLogP value of 3.40812 indicates that 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-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 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The CAS number of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 896593-98-9.
What is the molecular formula of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular formula of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is C18H11FN2O2S.
What is the molecular weight of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular weight of 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 338.05 g/mol.
Where can I buy 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
You can request a quote for 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.