BAS 00224423
TL;DR: BAS 00224423 (CAS 306766-81-4) is a chemical compound with molecular formula C22H20FN5O3S2 and molecular weight 485.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Also Known As: BAS 00224423, AE-848/34543048, (2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-fluorophenyl)prop-2-enamide, (E)-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(4-fluorophenyl)acrylamide, (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
| Molecular Formula | C22H20FN5O3S2 |
|---|---|
| Molecular Weight | 485.10 g/mol |
| LogP | 3.55974 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.09915 |
| Heavy Atoms | 33 |
| Complexity | 1288.6129 |
Chemical Identifiers
| CAS Number | 306766-81-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F)C |
Product Overview
BAS 00224423 (CAS 306766-81-4), with molecular formula C22H20FN5O3S2 and molecular weight 485.10 g/mol. IUPAC: (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of BAS 00224423
Property Insights of BAS 00224423
The XLogP value of 3.55974 indicates that BAS 00224423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224423. Following Lipinski's Rule of Five, BAS 00224423 has 3 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 00224423?
The CAS number of BAS 00224423 is 306766-81-4.
What is the molecular formula of BAS 00224423?
The molecular formula of BAS 00224423 is C22H20FN5O3S2.
What is the molecular weight of BAS 00224423?
The molecular weight of BAS 00224423 is 485.10 g/mol.
Where can I buy BAS 00224423?
You can request a quote for BAS 00224423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224423?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.