8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione (CAS 7499-89-0) 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)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione, 8-(azepan-1-yl)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(Azepan-1-yl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-PURINE-2,6-DIONE,8-(HEXAHYDRO-1H-AZEPIN-1-YL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-
| Molecular Formula | C14H21N5O2 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.16953 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 7499-89-0 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | FKFOPXOOUYSWRU-UHFFFAOYSA-N |
Product Overview
8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione (CAS 7499-89-0), with molecular formula C14H21N5O2 and molecular weight 291.17 g/mol. IUPAC: 8-(azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-1,3,7-trimethylpurine-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 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione is 7499-89-0.
What is the molecular formula of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione is C14H21N5O2.
What is the molecular weight of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione is 291.17 g/mol.
Where can I buy 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-1,3,7-trimethylpurine-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)-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.