3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione
TL;DR: 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione (CAS 7464-78-0) is a chemical compound with molecular formula C10H15N5O2 and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione
Also Known As: 3-ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione, 3-ethyl-1,7-dimethyl-8-methylamino-purine-2,6-dione, 3-Ethyl-1,7-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C10H15N5O2 |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.12257 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 7464-78-0 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC)C |
| InChIKey | RJFYPNPIJIXAIX-UHFFFAOYSA-N |
Product Overview
3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione (CAS 7464-78-0), with molecular formula C10H15N5O2 and molecular weight 237.12 g/mol. IUPAC: 3-ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione.
Chemical Property Profile of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione
Property Insights of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione has 1 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 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione?
The CAS number of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione is 7464-78-0.
What is the molecular formula of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione?
The molecular formula of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione is C10H15N5O2.
What is the molecular weight of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione?
The molecular weight of 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione is 237.12 g/mol.
Where can I buy 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione?
You can request a quote for 3-Ethyl-1,7-dimethyl-8-(methylamino)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 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.