1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 577789-64-1) is a chemical compound with molecular formula C19H24ClN5O3 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethyl-purine-2,6-dione, 1-[(4-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione, 1-(4-chlorobenzyl)-8-[(3-ethoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H24ClN5O3 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 1.9739 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.15677 |
| Heavy Atoms | 28 |
| Complexity | 1082.1178 |
Chemical Identifiers
| CAS Number | 577789-64-1 |
|---|---|
| SMILES | CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 577789-64-1), with molecular formula C19H24ClN5O3 and molecular weight 405.16 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 577789-64-1.
What is the molecular formula of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C19H24ClN5O3.
What is the molecular weight of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 405.16 g/mol.
Where can I buy 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-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 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-8-((3-ethoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.