ChemDiv1_005012
TL;DR: ChemDiv1_005012 (CAS 4628-62-0) is a chemical compound with molecular formula C22H27N7O5 and molecular weight 469.21 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]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_005012, BAS 02999090, 8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(2-hydroxy-3-(4-methoxyphenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, F0887-0026
| Molecular Formula | C22H27N7O5 |
|---|---|
| Molecular Weight | 469.21 g/mol |
| LogP | 0.5705 |
| Topological Polar Surface Area | 141.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.20737 |
| Heavy Atoms | 34 |
| Complexity | 1339.2262 |
Chemical Identifiers
| CAS Number | 4628-62-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005012 (CAS 4628-62-0), with molecular formula C22H27N7O5 and molecular weight 469.21 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005012
Property Insights of ChemDiv1_005012
The XLogP value of 0.5705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005012. The TPSA of 141.22 Ų indicates high polarity, suggesting ChemDiv1_005012 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_005012 has 3 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_005012?
The CAS number of ChemDiv1_005012 is 4628-62-0.
What is the molecular formula of ChemDiv1_005012?
The molecular formula of ChemDiv1_005012 is C22H27N7O5.
What is the molecular weight of ChemDiv1_005012?
The molecular weight of ChemDiv1_005012 is 469.21 g/mol.
Where can I buy ChemDiv1_005012?
You can request a quote for ChemDiv1_005012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005012?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.