1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 585548-94-3) is a chemical compound with molecular formula C21H26Cl2N6O3 and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
| Molecular Formula | C21H26Cl2N6O3 |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.14435 |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 585548-94-3 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C |
| InChIKey | KNKVLSZPBXRYLA-UHFFFAOYSA-N |
Product Overview
1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 585548-94-3), with molecular formula C21H26Cl2N6O3 and molecular weight 480.14 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-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 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 585548-94-3.
What is the molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is C21H26Cl2N6O3.
What is the molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 480.14 g/mol.
Where can I buy 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-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-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.