8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
TL;DR: 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione (CAS 878451-91-3) is a chemical compound with molecular formula C16H25N5O3 and molecular weight 335.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 15374659, VU0510653-1, F3144-0015, 8-(azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione, 8-(azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H25N5O3 |
|---|---|
| Molecular Weight | 335.20 g/mol |
| LogP | 0.1949 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.19574 |
| Heavy Atoms | 24 |
| Complexity | 853.19073 |
Chemical Identifiers
| CAS Number | 878451-91-3 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)O |
Product Overview
8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione (CAS 878451-91-3), with molecular formula C16H25N5O3 and molecular weight 335.20 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Property Insights of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
The XLogP value of 0.1949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione has 1 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-hydroxypropyl)-1,3-dimethylpurine-2,6-dione?
The CAS number of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione is 878451-91-3.
What is the molecular formula of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione?
The molecular formula of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione is C16H25N5O3.
What is the molecular weight of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione?
The molecular weight of 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione is 335.20 g/mol.
Where can I buy 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione?
You can request a quote for 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-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 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Azepan-1-yl)-7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.