![8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/116/1164545-17-8.png)
8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 1164545-17-8) is a chemical compound with molecular formula C16H23N5O2 and molecular weight 317.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
Also Known As: 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione, 8-Azepan-1-yl-7-((E)-but-2-enyl)-3-methyl-3,7-dihydro-purine-2,6-dione, (E)-8-(azepan-1-yl)-7-(but-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-((2E)but-2-enyl)-8-azaperhydroepinyl-3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C16H23N5O2 |
|---|---|
| Molecular Weight | 317.19 g/mol |
| LogP | 1.3798 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.18518 |
| Heavy Atoms | 23 |
| Complexity | 834.4982 |
Chemical Identifiers
| CAS Number | 1164545-17-8 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C |
Product Overview
8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 1164545-17-8), with molecular formula C16H23N5O2 and molecular weight 317.19 g/mol. IUPAC: 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-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 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 1164545-17-8.
What is the molecular formula of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C16H23N5O2.
What is the molecular weight of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 317.19 g/mol.
Where can I buy 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.