BAS 00224414
TL;DR: BAS 00224414 (CAS 300718-63-2) is a chemical compound with molecular formula C22H21N5O3S2 and molecular weight 467.11 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-phenylprop-2-enamide
Also Known As: BAS 00224414, AB00686063-01, F1443-3121, (2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide, (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
| Molecular Formula | C22H21N5O3S2 |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 3.42064 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.10858 |
| Heavy Atoms | 32 |
| Complexity | 1238.2336 |
Chemical Identifiers
| CAS Number | 300718-63-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)C |
Product Overview
BAS 00224414 (CAS 300718-63-2), with molecular formula C22H21N5O3S2 and molecular weight 467.11 g/mol. IUPAC: (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of BAS 00224414
Property Insights of BAS 00224414
The XLogP value of 3.42064 indicates that BAS 00224414 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 00224414. Following Lipinski's Rule of Five, BAS 00224414 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 00224414?
The CAS number of BAS 00224414 is 300718-63-2.
What is the molecular formula of BAS 00224414?
The molecular formula of BAS 00224414 is C22H21N5O3S2.
What is the molecular weight of BAS 00224414?
The molecular weight of BAS 00224414 is 467.11 g/mol.
Where can I buy BAS 00224414?
You can request a quote for BAS 00224414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224414?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.