8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione (CAS 313507-16-3) is a chemical compound with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione
Also Known As: ChemDiv2_003747, IDI1_002462, BAS 00286807, 8-(azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione, AH-034/07822052
| Molecular Formula | C14H21N5O2 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.16953 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 313507-16-3 |
|---|---|
| SMILES | CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C |
| InChIKey | VGEDYZGUKKAHLN-UHFFFAOYSA-N |
Product Overview
8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione (CAS 313507-16-3), with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol. IUPAC: 8-(azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-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-ethyl-3-methylpurine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione is 313507-16-3.
What is the molecular formula of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione is C14H21N5O2.
What is the molecular weight of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione is 291.17 g/mol.
Where can I buy 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-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-ethyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.