8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 301355-18-0) is a chemical compound with molecular formula C16H25N5O2 and molecular weight 319.20 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-(2-methylpropyl)purine-2,6-dione
Also Known As: BAS 00363942, 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione, F0373-0338, 8-(azepan-1-yl)-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H25N5O2 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.20084 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 301355-18-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C |
| InChIKey | YVONJQWWDOMUSR-UHFFFAOYSA-N |
Product Overview
8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 301355-18-0), with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol. IUPAC: 8-(azepan-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-7-isobutyl-3-methyl-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 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 301355-18-0.
What is the molecular formula of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H25N5O2.
What is the molecular weight of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 319.20 g/mol.
Where can I buy 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(azepan-1-yl)-7-isobutyl-3-methyl-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 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.