1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- (CAS 22247-84-3) is a chemical compound with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethenyl-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-vinyl-, ChemDiv3_001093, 7-ethenyl-1,3-dimethylpurine-2,6-dione, BAS 01118229, 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
| Molecular Formula | C9H10N4O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.08037 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 22247-84-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C=C |
| InChIKey | LDIHAIDKESSPJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- (CAS 22247-84-3), with molecular formula C9H10N4O2 and molecular weight 206.08 g/mol. IUPAC: 7-ethenyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-. With a topological polar surface area (TPSA) of 58.4 Ų, 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- 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 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- is 22247-84-3.
What is the molecular formula of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- is C9H10N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- is 206.08 g/mol.
Where can I buy 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.