8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 714932-84-0) is a chemical compound with molecular formula C19H22N6O4 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione
Also Known As: 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione
| Molecular Formula | C19H22N6O4 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 1.7447 |
| Topological Polar Surface Area | 116.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.17026 |
| Heavy Atoms | 29 |
| Complexity | 1198.6381 |
Chemical Identifiers
| CAS Number | 714932-84-0 |
|---|---|
| SMILES | CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 714932-84-0), with molecular formula C19H22N6O4 and molecular weight 398.17 g/mol. IUPAC: 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 116.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione has 1 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 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione is 714932-84-0.
What is the molecular formula of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione is C19H22N6O4.
What is the molecular weight of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione is 398.17 g/mol.
Where can I buy 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-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-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.