8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 328271-31-4) is a chemical compound with molecular formula C17H25N5O2 and molecular weight 331.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
Also Known As: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, F0068-0005, 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione, 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-1H-purine-2,6(3H,7H)-dione, 8-(1-azepanyl)-3-methyl-7-(3-methyl-2-butenyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H25N5O2 |
|---|---|
| Molecular Weight | 331.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.20084 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 328271-31-4 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)C |
| InChIKey | TZLWJFWIMGHQEK-UHFFFAOYSA-N |
Product Overview
8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 328271-31-4), with molecular formula C17H25N5O2 and molecular weight 331.20 g/mol. IUPAC: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-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)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 328271-31-4.
What is the molecular formula of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C17H25N5O2.
What is the molecular weight of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 331.20 g/mol.
Where can I buy 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-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)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.