BAS 00458078
TL;DR: BAS 00458078 (CAS 304876-56-0) is a chemical compound with molecular formula C17H20N6O7 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00458078, 8-[(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(2-hydroxyethylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione, 7-(2-hydroxy-3-(4-nitrophenoxy)propyl)-8-((2-hydroxyethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-1,3, 7-trihydropurine-2,6-dione
| Molecular Formula | C17H20N6O7 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | -0.8244 |
| Topological Polar Surface Area | 177.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.13934 |
| Heavy Atoms | 30 |
| Complexity | 1164.284 |
Chemical Identifiers
| CAS Number | 304876-56-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O |
Product Overview
BAS 00458078 (CAS 304876-56-0), with molecular formula C17H20N6O7 and molecular weight 420.14 g/mol. IUPAC: 8-(2-hydroxyethylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458078
Property Insights of BAS 00458078
The XLogP value of -0.8244 indicates that BAS 00458078 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.54 Ų indicates high polarity, suggesting BAS 00458078 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00458078 has 4 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 BAS 00458078?
The CAS number of BAS 00458078 is 304876-56-0.
What is the molecular formula of BAS 00458078?
The molecular formula of BAS 00458078 is C17H20N6O7.
What is the molecular weight of BAS 00458078?
The molecular weight of BAS 00458078 is 420.14 g/mol.
Where can I buy BAS 00458078?
You can request a quote for BAS 00458078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.