BAS 00224426
TL;DR: BAS 00224426 (CAS 1164554-91-9) is a chemical compound with molecular formula C21H18FN5O4S2 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Also Known As: BAS 00224426, (E)-3-(4-fluorophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide, (2E)-3-(4-fluorophenyl)-N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide, (E)-3-(4-fluorophenyl)-N-((4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)carbamothioyl)acrylamide, 3-(4-Fluorophenyl)-N-{[(4-{[(3-methoxy-2-pyrazinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}acrylamide
| Molecular Formula | C21H18FN5O4S2 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 2.9515 |
| Topological Polar Surface Area | 122.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.07843 |
| Heavy Atoms | 33 |
| Complexity | 1280.767 |
Chemical Identifiers
| CAS Number | 1164554-91-9 |
|---|---|
| SMILES | COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
BAS 00224426 (CAS 1164554-91-9), with molecular formula C21H18FN5O4S2 and molecular weight 487.08 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 00224426
Property Insights of BAS 00224426
The XLogP value of 2.9515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00224426. The TPSA of 122.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224426. Following Lipinski's Rule of Five, BAS 00224426 has 3 hydrogen bond donor(s) and 7 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 00224426?
The CAS number of BAS 00224426 is 1164554-91-9.
What is the molecular formula of BAS 00224426?
The molecular formula of BAS 00224426 is C21H18FN5O4S2.
What is the molecular weight of BAS 00224426?
The molecular weight of BAS 00224426 is 487.08 g/mol.
Where can I buy BAS 00224426?
You can request a quote for BAS 00224426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224426?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.