ChemDiv1_005058
TL;DR: ChemDiv1_005058 (CAS 333755-39-8) is a chemical compound with molecular formula C21H28N6O5 and molecular weight 444.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: ChemDiv1_005058, BAS 02999193, 7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0887-0129, 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
| Molecular Formula | C21H28N6O5 |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | -0.7082 |
| Topological Polar Surface Area | 115.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.21213 |
| Heavy Atoms | 32 |
| Complexity | 1206.6189 |
Chemical Identifiers
| CAS Number | 333755-39-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005058 (CAS 333755-39-8), with molecular formula C21H28N6O5 and molecular weight 444.21 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005058
Property Insights of ChemDiv1_005058
The XLogP value of -0.7082 indicates that ChemDiv1_005058 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005058. Following Lipinski's Rule of Five, ChemDiv1_005058 has 2 hydrogen bond donor(s) and 8 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 ChemDiv1_005058?
The CAS number of ChemDiv1_005058 is 333755-39-8.
What is the molecular formula of ChemDiv1_005058?
The molecular formula of ChemDiv1_005058 is C21H28N6O5.
What is the molecular weight of ChemDiv1_005058?
The molecular weight of ChemDiv1_005058 is 444.21 g/mol.
Where can I buy ChemDiv1_005058?
You can request a quote for ChemDiv1_005058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005058?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.