8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 115294-84-3) is a chemical compound with molecular formula C14H21N5O3 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Also Known As: CL-394079-10mMinDMSO,,, BAS 00286820, 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione, 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-Azepan-1-yl-7-(2-hydroxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H21N5O3 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.16443 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 115294-84-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCO |
| InChIKey | MOHJNPOOEQBSFE-UHFFFAOYSA-N |
Product Overview
8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 115294-84-3), with molecular formula C14H21N5O3 and molecular weight 307.16 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 5 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-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 115294-84-3.
What is the molecular formula of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C14H21N5O3.
What is the molecular weight of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 307.16 g/mol.
Where can I buy 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-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)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.