BAS 01122532
TL;DR: BAS 01122532 (CAS 332103-55-6) is a chemical compound with molecular formula C20H25N7O6 and molecular weight 459.19 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-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122532, 7-(2-hydroxy-3-(4-nitrophenoxy)propyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0403-0013, 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H25N7O6 |
|---|---|
| Molecular Weight | 459.19 g/mol |
| LogP | -0.4768 |
| Topological Polar Surface Area | 151.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.18665 |
| Heavy Atoms | 33 |
| Complexity | 1271.026 |
Chemical Identifiers
| CAS Number | 332103-55-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)[N+](=O)[O-])O)C(=O)NC(=O)N3C |
Product Overview
BAS 01122532 (CAS 332103-55-6), with molecular formula C20H25N7O6 and molecular weight 459.19 g/mol. IUPAC: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 01122532
Property Insights of BAS 01122532
The XLogP value of -0.4768 indicates that BAS 01122532 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.76 Ų indicates high polarity, suggesting BAS 01122532 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01122532 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 01122532?
The CAS number of BAS 01122532 is 332103-55-6.
What is the molecular formula of BAS 01122532?
The molecular formula of BAS 01122532 is C20H25N7O6.
What is the molecular weight of BAS 01122532?
The molecular weight of BAS 01122532 is 459.19 g/mol.
Where can I buy BAS 01122532?
You can request a quote for BAS 01122532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122532?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.