![3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione structure](/static/products/899/899388-76-2.png)
3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
TL;DR: 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 899388-76-2) is a chemical compound with molecular formula C22H14N2O2S2 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione
Also Known As: 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione, 3-benzyl-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione, 3-benzyl-2-(thiophen-2-yl)-3H-thiochromeno[2,3-d]pyrimidine-4,5-dione
| Molecular Formula | C22H14N2O2S2 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 4.7482 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.04968 |
| Heavy Atoms | 28 |
| Complexity | 1418.7096 |
Chemical Identifiers
| CAS Number | 899388-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=CS5 |
Product Overview
3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione (CAS 899388-76-2), with molecular formula C22H14N2O2S2 and molecular weight 402.05 g/mol. IUPAC: 3-benzyl-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione.
Chemical Property Profile of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Property Insights of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
The XLogP value of 4.7482 indicates that 3-benzyl-2-(thiophen-2-yl)-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-benzyl-2-(thiophen-2-yl)-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-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione has 0 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 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The CAS number of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 899388-76-2.
What is the molecular formula of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular formula of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is C22H14N2O2S2.
What is the molecular weight of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
The molecular weight of 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione is 402.05 g/mol.
Where can I buy 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
You can request a quote for 3-benzyl-2-(thiophen-2-yl)-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-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.