BAS 00224413
TL;DR: BAS 00224413 (CAS 1107648-17-8) is a chemical compound with molecular formula C21H19N5O4S2 and molecular weight 469.08786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
Also Known As: BAS 00224413, AB00074550-01, AE-848/34543047, (E)-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide, N-(6-Methoxy-pyridazin-3-yl)-4-[3-(3-phenyl-acryloyl)-thioureido]-benzenesulfonamide
Technical Specifications
| Molecular Formula | C21H19N5O4S2 |
| Molecular Weight | 469.08786 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.08786 Da |
| Heavy Atoms | 32 |
| Complexity | 757.0 |
| SMILES | COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | YRXPXGKPZXIKFB-NTUHNPAUSA-N |
Chemical Property Profile of BAS 00224413
Property Insights of BAS 00224413
The XLogP value of 3.0 indicates that BAS 00224413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting BAS 00224413 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00224413 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00224413?
The CAS number of BAS 00224413 is 1107648-17-8.
What is the molecular formula of BAS 00224413?
The molecular formula of BAS 00224413 is C21H19N5O4S2.
What is the molecular weight of BAS 00224413?
The molecular weight of BAS 00224413 is 469.08786 g/mol.
Where can I buy BAS 00224413?
You can request a quote for BAS 00224413 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00224413?
Yes, CoreyChem provides custom synthesis services for BAS 00224413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.