7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 876899-06-8) is a chemical compound with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: BAS 12521204, 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, F2582-0085, 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione, 1,3-dimethyl-7-[(2E)-3-phenylprop-2-en-1-yl]-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H27N5O2 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 2.133 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.21646 |
| Heavy Atoms | 29 |
| Complexity | 1147.8899 |
Chemical Identifiers
| CAS Number | 876899-06-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)C/C=C/C4=CC=CC=C4 |
Product Overview
7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 876899-06-8), with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol. IUPAC: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 4 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 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 876899-06-8.
What is the molecular formula of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C22H27N5O2.
What is the molecular weight of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 393.22 g/mol.
Where can I buy 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-cinnamyl-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.