BAS 00989769
TL;DR: BAS 00989769 (CAS 333769-58-7) is a chemical compound with molecular formula C21H10Cl2N2O2S and molecular weight 423.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dichlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00989769, (E)-3-(3,4-dichlorophenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(3,4-dichlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-(3,4-dichlorophenyl)-2-[4-(2-oxochromen-3-yl)(1,3-thiazol-2-yl)]prop-2- enenitrile
| Molecular Formula | C21H10Cl2N2O2S |
|---|---|
| Molecular Weight | 423.98 g/mol |
| LogP | 6.28748 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.984 |
| Heavy Atoms | 28 |
| Complexity | 1332.236 |
Chemical Identifiers
| CAS Number | 333769-58-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/C#N |
Product Overview
BAS 00989769 (CAS 333769-58-7), with molecular formula C21H10Cl2N2O2S and molecular weight 423.98 g/mol. IUPAC: (E)-3-(3,4-dichlorophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00989769
Property Insights of BAS 00989769
The XLogP value of 6.28748 indicates that BAS 00989769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00989769. Following Lipinski's Rule of Five, BAS 00989769 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00989769?
The CAS number of BAS 00989769 is 333769-58-7.
What is the molecular formula of BAS 00989769?
The molecular formula of BAS 00989769 is C21H10Cl2N2O2S.
What is the molecular weight of BAS 00989769?
The molecular weight of BAS 00989769 is 423.98 g/mol.
Where can I buy BAS 00989769?
You can request a quote for BAS 00989769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00989769?
Yes, KEHONG BIO provides custom synthesis services for BAS 00989769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.