8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 25314-95-8) is a chemical compound with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-chloro-7-ethyl-1,3-dimethylpurine-2,6-dione, AJ-981/12493001, A2373/0100344, 8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C9H11ClN4O2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.05705 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 25314-95-8 |
|---|---|
| SMILES | CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C |
| InChIKey | YNXZXEOEAYULHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 25314-95-8), with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol. IUPAC: 8-chloro-7-ethyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 25314-95-8.
What is the molecular formula of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C9H11ClN4O2.
What is the molecular weight of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 242.06 g/mol.
Where can I buy 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-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 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.