![5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/863/863002-98-6.png)
5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863002-98-6) is a chemical compound with molecular formula C25H29N5O3S and molecular weight 479.20 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-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-cyclopropyl-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C25H29N5O3S |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 2.478 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.1991 |
| Heavy Atoms | 34 |
| Complexity | 1338.6438 |
Chemical Identifiers
| CAS Number | 863002-98-6 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863002-98-6), with molecular formula C25H29N5O3S and molecular weight 479.20 g/mol. IUPAC: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-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)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,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 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863002-98-6.
What is the molecular formula of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C25H29N5O3S.
What is the molecular weight of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 479.20 g/mol.
Where can I buy 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-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)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.