ChemDiv1_005188
TL;DR: ChemDiv1_005188 (CAS 377048-70-9) is a chemical compound with molecular formula C21H29N7O6 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: ChemDiv1_005188, 8-((2-(diethylamino)ethyl)amino)-7-(2-hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0887-0082, 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H29N7O6 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 0.5251 |
| Topological Polar Surface Area | 160.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 475.21793 |
| Heavy Atoms | 34 |
| Complexity | 1243.461 |
Chemical Identifiers
| CAS Number | 377048-70-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(=O)N2C |
Product Overview
ChemDiv1_005188 (CAS 377048-70-9), with molecular formula C21H29N7O6 and molecular weight 475.22 g/mol. IUPAC: 8-[2-(diethylamino)ethylamino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005188
Property Insights of ChemDiv1_005188
The XLogP value of 0.5251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005188. The TPSA of 160.55 Ų indicates high polarity, suggesting ChemDiv1_005188 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_005188 has 3 hydrogen bond donor(s) and 9 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_005188?
The CAS number of ChemDiv1_005188 is 377048-70-9.
What is the molecular formula of ChemDiv1_005188?
The molecular formula of ChemDiv1_005188 is C21H29N7O6.
What is the molecular weight of ChemDiv1_005188?
The molecular weight of ChemDiv1_005188 is 475.22 g/mol.
Where can I buy ChemDiv1_005188?
You can request a quote for ChemDiv1_005188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005188?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.