7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione
TL;DR: 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione (CAS 3922-49-4) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione
Also Known As: Heptano[a]purin-2,6-dione, 1,3-dimethyl-, J3.112.791B, 1,3-Dimethyl-7,8,9,10-tetrahydro-1H-azepino[2,1-f]purine-2,4(3H,6H)-dione, 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino[2,1-f]purine-2,4(3H,6H)-dione, 1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 3922-49-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCCCCC3=N2 |
| InChIKey | RZULOVDOZXHXSP-UHFFFAOYSA-N |
Product Overview
7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione (CAS 3922-49-4), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 1,3-dimethyl-7,8,9,10-tetrahydro-6H-purino[7,8-a]azepine-2,4-dione.
Chemical Property Profile of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione
Property Insights of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione has 0 hydrogen bond donor(s) and 3 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 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione?
The CAS number of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione is 3922-49-4.
What is the molecular formula of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione?
The molecular formula of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione is C12H16N4O2.
What is the molecular weight of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione?
The molecular weight of 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione is 248.13 g/mol.
Where can I buy 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione?
You can request a quote for 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,8,9,10-Tetrahydro-1,3-dimethyl-1H-azepino(2,1-f)purine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.