7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 847847-02-3) is a chemical compound with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione, 7-[(2-CHLORO-5-METHOXYPHENYL)METHYL]-8-(4-ETHYLPIPERAZIN-1-YL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H27ClN6O3 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 1.2859 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.18332 |
| Heavy Atoms | 31 |
| Complexity | 1236.6117 |
Chemical Identifiers
| CAS Number | 847847-02-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC(=C4)OC)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 847847-02-3), with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 6 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-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 847847-02-3.
What is the molecular formula of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H27ClN6O3.
What is the molecular weight of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 446.18 g/mol.
Where can I buy 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-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 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chloro-5-methoxybenzyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.