![3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione structure](/static/products/879/879458-51-2.png)
3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
TL;DR: 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 879458-51-2) is a chemical compound with molecular formula C24H15N3O4S and molecular weight 441.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
Also Known As: 3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione, 3-benzyl-2-(3-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione, 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
| Molecular Formula | C24H15N3O4S |
|---|---|
| Molecular Weight | 441.08 g/mol |
| LogP | 4.5949 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.07834 |
| Heavy Atoms | 32 |
| Complexity | 1624.3793 |
Chemical Identifiers
| CAS Number | 879458-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 879458-51-2), with molecular formula C24H15N3O4S and molecular weight 441.08 g/mol. IUPAC: 3-benzyl-2-(3-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione.
Chemical Property Profile of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Property Insights of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
The XLogP value of 4.5949 indicates that 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione. Following Lipinski's Rule of Five, 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione has 0 hydrogen bond donor(s) and 6 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-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The CAS number of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 879458-51-2.
What is the molecular formula of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular formula of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is C24H15N3O4S.
What is the molecular weight of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular weight of 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 441.08 g/mol.
Where can I buy 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
You can request a quote for 3-benzyl-2-(3-nitrophenyl)-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-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-(3-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.