![3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione structure](/static/products/879/879456-72-1.png)
3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione
TL;DR: 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione (CAS 879456-72-1) is a chemical compound with molecular formula C25H17N3O5S and molecular weight 471.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
Also Known As: 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione, 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione, 3-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
| Molecular Formula | C25H17N3O5S |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 4.6035 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.0889 |
| Heavy Atoms | 34 |
| Complexity | 1672.9485 |
Chemical Identifiers
| CAS Number | 879456-72-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione (CAS 879456-72-1), with molecular formula C25H17N3O5S and molecular weight 471.09 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione.
Chemical Property Profile of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione
Property Insights of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione
The XLogP value of 4.6035 indicates that 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione. Following Lipinski's Rule of Five, 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione has 0 hydrogen bond donor(s) and 7 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-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione?
The CAS number of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione is 879456-72-1.
What is the molecular formula of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione?
The molecular formula of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione is C25H17N3O5S.
What is the molecular weight of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione?
The molecular weight of 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione is 471.09 g/mol.
Where can I buy 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione?
You can request a quote for 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-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-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.