BAS 00458077
TL;DR: BAS 00458077 (CAS 300835-10-3) is a chemical compound with molecular formula C22H19N5O8 and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate
Also Known As: BAS 00458077, [7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate, 7-(2-hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate, 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl benzoate
| Molecular Formula | C22H19N5O8 |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 0.9906 |
| Topological Polar Surface Area | 171.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.12335 |
| Heavy Atoms | 35 |
| Complexity | 1505.3787 |
Chemical Identifiers
| CAS Number | 300835-10-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
BAS 00458077 (CAS 300835-10-3), with molecular formula C22H19N5O8 and molecular weight 481.12 g/mol. IUPAC: [7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl] benzoate.
Chemical Property Profile of BAS 00458077
Property Insights of BAS 00458077
The XLogP value of 0.9906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458077. The TPSA of 171.58 Ų indicates high polarity, suggesting BAS 00458077 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00458077 has 2 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 00458077?
The CAS number of BAS 00458077 is 300835-10-3.
What is the molecular formula of BAS 00458077?
The molecular formula of BAS 00458077 is C22H19N5O8.
What is the molecular weight of BAS 00458077?
The molecular weight of BAS 00458077 is 481.12 g/mol.
Where can I buy BAS 00458077?
You can request a quote for BAS 00458077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458077?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.