![5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione structure](/static/products/863/863002-44-2.png)
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
TL;DR: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 863002-44-2) is a chemical compound with molecular formula C25H31N5O3S and molecular weight 481.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C25H31N5O3S |
|---|---|
| Molecular Weight | 481.21 g/mol |
| LogP | 2.5531 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.21475 |
| Heavy Atoms | 34 |
| Complexity | 1293.8795 |
Chemical Identifiers
| CAS Number | 863002-44-2 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C(=O)N(C(=O)N2C)C |
Product Overview
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 863002-44-2), with molecular formula C25H31N5O3S and molecular weight 481.21 g/mol. IUPAC: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
Property Insights of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
The XLogP value of 2.5531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-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 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The CAS number of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione is 863002-44-2.
What is the molecular formula of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular formula of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione is C25H31N5O3S.
What is the molecular weight of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular weight of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione is 481.21 g/mol.
Where can I buy 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
You can request a quote for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.