BAS 01817339
TL;DR: BAS 01817339 (CAS 424802-89-1) is a chemical compound with molecular formula C20H21BrN6O2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminopyridine-4-carboxamide
Also Known As: BAS 01817339, BIM-0043283.P001, (Z)-N'-(5-bromo-1-((4-methylpiperazin-1-yl)methyl)-2-oxoindolin-3-ylidene)isonicotinohydrazide, N'-{(3Z)-5-bromo-1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}pyridine-4-carbohydrazide, N'-{5-bromo-1-[(4-methyl-1-piperazinyl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}isonicotinohydrazide
| Molecular Formula | C20H21BrN6O2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.6334 |
| Topological Polar Surface Area | 86.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.09094 |
| Heavy Atoms | 29 |
| Complexity | 1057.7687 |
Chemical Identifiers
| CAS Number | 424802-89-1 |
|---|---|
| SMILES | CN1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=O)C4=CC=NC=C4 |
Product Overview
BAS 01817339 (CAS 424802-89-1), with molecular formula C20H21BrN6O2 and molecular weight 456.09 g/mol. IUPAC: N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminopyridine-4-carboxamide.
Chemical Property Profile of BAS 01817339
Property Insights of BAS 01817339
The XLogP value of 3.6334 indicates that BAS 01817339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01817339. Following Lipinski's Rule of Five, BAS 01817339 has 1 hydrogen bond donor(s) and 6 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 01817339?
The CAS number of BAS 01817339 is 424802-89-1.
What is the molecular formula of BAS 01817339?
The molecular formula of BAS 01817339 is C20H21BrN6O2.
What is the molecular weight of BAS 01817339?
The molecular weight of BAS 01817339 is 456.09 g/mol.
Where can I buy BAS 01817339?
You can request a quote for BAS 01817339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01817339?
Yes, KEHONG BIO provides custom synthesis services for BAS 01817339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.