BAS 00331773
TL;DR: BAS 00331773 (CAS 331004-69-4) is a chemical compound with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylphenyl)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
Also Known As: BAS 00331773, N-Thiazol-2-yl-4-[3-(3-p-tolyl-acryloyl)-thioureido]-benzenesulfonamide, (E)-N-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(p-tolyl)acrylamide, (2E)-3-(4-methylphenyl)-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}prop-2-enamide, (E)-3-(4-methylphenyl)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
| Molecular Formula | C20H18N4O3S3 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 3.77872 |
| Topological Polar Surface Area | 100.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0541 |
| Heavy Atoms | 30 |
| Complexity | 1155.0205 |
Chemical Identifiers
| CAS Number | 331004-69-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3 |
Product Overview
BAS 00331773 (CAS 331004-69-4), with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol. IUPAC: (E)-3-(4-methylphenyl)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 00331773
Property Insights of BAS 00331773
The XLogP value of 3.77872 indicates that BAS 00331773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00331773. Following Lipinski's Rule of Five, BAS 00331773 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 00331773?
The CAS number of BAS 00331773 is 331004-69-4.
What is the molecular formula of BAS 00331773?
The molecular formula of BAS 00331773 is C20H18N4O3S3.
What is the molecular weight of BAS 00331773?
The molecular weight of BAS 00331773 is 458.05 g/mol.
Where can I buy BAS 00331773?
You can request a quote for BAS 00331773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331773?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.