![7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione structure](/static/products/3140/314042-93-8.webp)
7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
TL;DR: 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CAS 314042-93-8) is a chemical compound with molecular formula C15H21N5O3 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 01129973, UPCMLD0ENAT5806422:001, 7-[2-(azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione, 7-[2-(1-AZEPANYL)-2-OXOETHYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-(2-Azepan-1-yl-2-oxo-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H21N5O3 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.16443 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 314042-93-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCCCC3 |
| InChIKey | CQAUDEAYZJAZRY-UHFFFAOYSA-N |
Product Overview
7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CAS 314042-93-8), with molecular formula C15H21N5O3 and molecular weight 319.16 g/mol. IUPAC: 7-[2-(azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
Property Insights of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione has 0 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-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is 314042-93-8.
What is the molecular formula of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is C15H21N5O3.
What is the molecular weight of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is 319.16 g/mol.
Where can I buy 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-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 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.