BAS 00224416
TL;DR: BAS 00224416 (CAS 300718-64-3) is a chemical compound with molecular formula C22H21N5O5S2 and molecular weight 499.10 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-phenylprop-2-enamide
Also Known As: BAS 00224416, (2E)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide, F1443-3149, 3-{4-[(2,6-DIMETHOXYPYRIMIDIN-4-YL)SULFAMOYL]PHENYL}-1-[(2E)-3-PHENYLPROP-2-ENOYL]THIOUREA, N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)cinnamamide
| Molecular Formula | C22H21N5O5S2 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 2.821 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.09842 |
| Heavy Atoms | 34 |
| Complexity | 1274.7704 |
Chemical Identifiers
| CAS Number | 300718-64-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)OC |
Product Overview
BAS 00224416 (CAS 300718-64-3), with molecular formula C22H21N5O5S2 and molecular weight 499.10 g/mol. IUPAC: (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of BAS 00224416
Property Insights of BAS 00224416
The XLogP value of 2.821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00224416. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224416. Following Lipinski's Rule of Five, BAS 00224416 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
Frequently Asked Questions
What is the CAS number of BAS 00224416?
The CAS number of BAS 00224416 is 300718-64-3.
What is the molecular formula of BAS 00224416?
The molecular formula of BAS 00224416 is C22H21N5O5S2.
What is the molecular weight of BAS 00224416?
The molecular weight of BAS 00224416 is 499.10 g/mol.
Where can I buy BAS 00224416?
You can request a quote for BAS 00224416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224416?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.