8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 96548-79-7) is a chemical compound with molecular formula C9H10Cl2N4O2 and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-chloro-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione, 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H10Cl2N4O2 |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 0.3259 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.01807 |
| Heavy Atoms | 17 |
| Complexity | 697.5545 |
Chemical Identifiers
| CAS Number | 96548-79-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCl |
Product Overview
8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 96548-79-7), with molecular formula C9H10Cl2N4O2 and molecular weight 276.02 g/mol. IUPAC: 8-chloro-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.3259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 96548-79-7.
What is the molecular formula of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C9H10Cl2N4O2.
What is the molecular weight of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 276.02 g/mol.
Where can I buy 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-chloro-7-(2-chloroethyl)-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-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.