7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 577698-84-1) is a chemical compound with molecular formula C15H21N5O2 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 07401618, UPCMLD0ENAT5733467:001, 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F3259-0459, 3-methyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enylpurine-2,6-dione
| Molecular Formula | C15H21N5O2 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 0.8456 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.16953 |
| Heavy Atoms | 22 |
| Complexity | 820.796 |
Chemical Identifiers
| CAS Number | 577698-84-1 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
Product Overview
7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 577698-84-1), with molecular formula C15H21N5O2 and molecular weight 303.17 g/mol. IUPAC: 3-methyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 1 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-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 577698-84-1.
What is the molecular formula of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C15H21N5O2.
What is the molecular weight of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 303.17 g/mol.
Where can I buy 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-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-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.