BAS 00472648
TL;DR: BAS 00472648 (CAS 332414-46-7) is a chemical compound with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
Also Known As: BAS 00472648, (2E)-3-(2-chlorophenyl)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide, F0130-0037, (E)-3-(2-chlorophenyl)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)acrylamide, (E)-3-(2-chlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
| Molecular Formula | C21H19ClN4O3S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 4.19954 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.08664 |
| Heavy Atoms | 30 |
| Complexity | 1188.926 |
Chemical Identifiers
| CAS Number | 332414-46-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)C |
Product Overview
BAS 00472648 (CAS 332414-46-7), with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide.
Chemical Property Profile of BAS 00472648
Property Insights of BAS 00472648
The XLogP value of 4.19954 indicates that BAS 00472648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00472648. Following Lipinski's Rule of Five, BAS 00472648 has 2 hydrogen bond donor(s) and 5 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 00472648?
The CAS number of BAS 00472648 is 332414-46-7.
What is the molecular formula of BAS 00472648?
The molecular formula of BAS 00472648 is C21H19ClN4O3S.
What is the molecular weight of BAS 00472648?
The molecular weight of BAS 00472648 is 442.09 g/mol.
Where can I buy BAS 00472648?
You can request a quote for BAS 00472648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00472648?
Yes, KEHONG BIO provides custom synthesis services for BAS 00472648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.