BAS 00224417
TL;DR: BAS 00224417 (CAS 1164527-86-9) is a chemical compound with molecular formula C21H19N5O4S2 and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
Also Known As: BAS 00224417, (E)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide, N-(3-Methoxy-pyrazin-2-yl)-4-[3-(3-phenyl-acryloyl)-thioureido]-benzenesulfonamide, N-{[(4-{[(3-methoxy-2-pyrazinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-3-phenylacrylamide, N-((4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)carbamothioyl)cinnamamide
| Molecular Formula | C21H19N5O4S2 |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 2.8124 |
| Topological Polar Surface Area | 122.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.08786 |
| Heavy Atoms | 32 |
| Complexity | 1230.5596 |
Chemical Identifiers
| CAS Number | 1164527-86-9 |
|---|---|
| SMILES | COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
BAS 00224417 (CAS 1164527-86-9), with molecular formula C21H19N5O4S2 and molecular weight 469.09 g/mol. IUPAC: (E)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of BAS 00224417
Property Insights of BAS 00224417
The XLogP value of 2.8124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00224417. The TPSA of 122.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224417. Following Lipinski's Rule of Five, BAS 00224417 has 3 hydrogen bond donor(s) and 7 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 00224417?
The CAS number of BAS 00224417 is 1164527-86-9.
What is the molecular formula of BAS 00224417?
The molecular formula of BAS 00224417 is C21H19N5O4S2.
What is the molecular weight of BAS 00224417?
The molecular weight of BAS 00224417 is 469.09 g/mol.
Where can I buy BAS 00224417?
You can request a quote for BAS 00224417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224417?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.