BAS 01122565
TL;DR: BAS 01122565 (CAS 313404-89-6) is a chemical compound with molecular formula C19H21N7O5 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperazin-1-yl)-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione
Also Known As: BAS 01122565, VU0488348-1, F0403-0046, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-(4-nitrophenyl)-2-oxoethyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-(4-methylpiperazin-1-yl)-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione
| Molecular Formula | C19H21N7O5 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | -0.0338 |
| Topological Polar Surface Area | 139.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.16043 |
| Heavy Atoms | 31 |
| Complexity | 1279.9495 |
Chemical Identifiers
| CAS Number | 313404-89-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC(=O)N3C |
Product Overview
BAS 01122565 (CAS 313404-89-6), with molecular formula C19H21N7O5 and molecular weight 427.16 g/mol. IUPAC: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[2-(4-nitrophenyl)-2-oxoethyl]purine-2,6-dione.
Chemical Property Profile of BAS 01122565
Property Insights of BAS 01122565
The XLogP value of -0.0338 indicates that BAS 01122565 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122565. Following Lipinski's Rule of Five, BAS 01122565 has 1 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 BAS 01122565?
The CAS number of BAS 01122565 is 313404-89-6.
What is the molecular formula of BAS 01122565?
The molecular formula of BAS 01122565 is C19H21N7O5.
What is the molecular weight of BAS 01122565?
The molecular weight of BAS 01122565 is 427.16 g/mol.
Where can I buy BAS 01122565?
You can request a quote for BAS 01122565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122565?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.