8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 868213-86-9) 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-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 10854126, UPCMLD0ENAT5731851:001, 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1781-0006, 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H25N5O3 |
|---|---|
| Molecular Weight | 335.20 g/mol |
| LogP | 0.4605 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.19574 |
| Heavy Atoms | 24 |
| Complexity | 839.98566 |
Chemical Identifiers
| CAS Number | 868213-86-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCOC |
Product Overview
8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 868213-86-9), with molecular formula C16H25N5O3 and molecular weight 335.20 g/mol. IUPAC: 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.4605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 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-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 868213-86-9.
What is the molecular formula of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C16H25N5O3.
What is the molecular weight of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 335.20 g/mol.
Where can I buy 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.