7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
TL;DR: 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione (CAS 442865-22-7) is a chemical compound with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 03819130, 7-benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione, AB01278542-01, 7-benzyl-8-((3-hydroxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-Benzyl-8-(3-hydroxy-propylamino)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C16H19N5O3 |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 0.2659 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1488 |
| Heavy Atoms | 24 |
| Complexity | 955.4887 |
Chemical Identifiers
| CAS Number | 442865-22-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC3=CC=CC=C3 |
Product Overview
7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione (CAS 442865-22-7), with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol. IUPAC: 7-benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
Property Insights of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione
The XLogP value of 0.2659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione has 3 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 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione?
The CAS number of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione is 442865-22-7.
What is the molecular formula of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione?
The molecular formula of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione is C16H19N5O3.
What is the molecular weight of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione?
The molecular weight of 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione is 329.15 g/mol.
Where can I buy 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione?
You can request a quote for 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-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 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.