![1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione structure](/static/products/317/317844-34-1.png)
1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione
TL;DR: 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione (CAS 317844-34-1) is a chemical compound with molecular formula C17H19Cl2N5O4 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione, 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione, 1-(2,4-dichlorobenzyl)-8-((2,3-dihydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-(2,4-dichlorobenzyl)-8-[(2,3-dihydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H19Cl2N5O4 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 0.5539 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.08142 |
| Heavy Atoms | 28 |
| Complexity | 1151.126 |
Chemical Identifiers
| CAS Number | 317844-34-1 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC(CO)O)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)C |
Product Overview
1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione (CAS 317844-34-1), with molecular formula C17H19Cl2N5O4 and molecular weight 427.08 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione
Property Insights of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione
The XLogP value of 0.5539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione has 3 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-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione?
The CAS number of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione is 317844-34-1.
What is the molecular formula of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione?
The molecular formula of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione is C17H19Cl2N5O4.
What is the molecular weight of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione?
The molecular weight of 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione is 427.08 g/mol.
Where can I buy 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione?
You can request a quote for 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-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 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethyl-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.