ChemDiv1_005146
TL;DR: ChemDiv1_005146 (CAS 333755-41-2) is a chemical compound with molecular formula C21H27N5O6 and molecular weight 445.20 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-morpholin-4-ylpurine-2,6-dione
Also Known As: ChemDiv1_005146, BAS 02999195, 7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione, F0887-0131, 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H27N5O6 |
|---|---|
| Molecular Weight | 445.20 g/mol |
| LogP | -0.2812 |
| Topological Polar Surface Area | 112.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.19614 |
| Heavy Atoms | 32 |
| Complexity | 1206.6189 |
Chemical Identifiers
| CAS Number | 333755-41-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005146 (CAS 333755-41-2), with molecular formula C21H27N5O6 and molecular weight 445.20 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005146
Property Insights of ChemDiv1_005146
The XLogP value of -0.2812 indicates that ChemDiv1_005146 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005146. Following Lipinski's Rule of Five, ChemDiv1_005146 has 1 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_005146?
The CAS number of ChemDiv1_005146 is 333755-41-2.
What is the molecular formula of ChemDiv1_005146?
The molecular formula of ChemDiv1_005146 is C21H27N5O6.
What is the molecular weight of ChemDiv1_005146?
The molecular weight of ChemDiv1_005146 is 445.20 g/mol.
Where can I buy ChemDiv1_005146?
You can request a quote for ChemDiv1_005146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005146?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.