BAS 00224425
TL;DR: BAS 00224425 (CAS 306766-84-7) is a chemical compound with molecular formula C22H20FN5O5S2 and molecular weight 517.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Also Known As: BAS 00224425, (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide, (2E)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-fluorophenyl)prop-2-enamide, (E)-N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)-3-(4-fluorophenyl)acrylamide, N-(2,6-dimethoxy-4-pyrimidinyl)-4-[({[3-(4-fluorophenyl)acryloyl]amino}carbothioyl)amino]benzenesulfonamide
| Molecular Formula | C22H20FN5O5S2 |
|---|---|
| Molecular Weight | 517.09 g/mol |
| LogP | 2.9601 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.089 |
| Heavy Atoms | 35 |
| Complexity | 1325.4043 |
Chemical Identifiers
| CAS Number | 306766-84-7 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F)OC |
Product Overview
BAS 00224425 (CAS 306766-84-7), with molecular formula C22H20FN5O5S2 and molecular weight 517.09 g/mol. IUPAC: (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of BAS 00224425
Property Insights of BAS 00224425
The XLogP value of 2.9601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00224425. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224425. Following Lipinski's Rule of Five, BAS 00224425 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00224425?
The CAS number of BAS 00224425 is 306766-84-7.
What is the molecular formula of BAS 00224425?
The molecular formula of BAS 00224425 is C22H20FN5O5S2.
What is the molecular weight of BAS 00224425?
The molecular weight of BAS 00224425 is 517.09 g/mol.
Where can I buy BAS 00224425?
You can request a quote for BAS 00224425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224425?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.