![1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione structure](/static/products/369/369603-46-3.png)
1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione (CAS 369603-46-3) is a chemical compound with molecular formula C17H20ClN5O4 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione, 1-(4-chlorobenzyl)-8-((2,3-dihydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H20ClN5O4 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | -0.0995 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1204 |
| Heavy Atoms | 27 |
| Complexity | 1083.8724 |
Chemical Identifiers
| CAS Number | 369603-46-3 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC(CO)O)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C |
Product Overview
1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione (CAS 369603-46-3), with molecular formula C17H20ClN5O4 and molecular weight 393.12 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione
The XLogP value of -0.0995 indicates that 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-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-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione is 369603-46-3.
What is the molecular formula of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione is C17H20ClN5O4.
What is the molecular weight of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione is 393.12 g/mol.
Where can I buy 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-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-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.