BAS 00758731
TL;DR: BAS 00758731 (CAS 326915-73-5) is a chemical compound with molecular formula C18H9BrCl2N2S and molecular weight 433.9047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)prop-2-enenitrile
Also Known As: BAS 00758731, BIM-0016715.P001, (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2,4-dichlorophenyl)-2-propenenitrile, (2E)-3-(2,4-dichlorophenyl)-2-[4-(4-bromophenyl)(1,3-thiazol-2-yl)]prop-2-enen itrile, (E)-2-(4-(4-bromophenyl)thiazol-2-yl)-3-(2,4-dichlorophenyl)acrylonitrile
Technical Specifications
| Molecular Formula | C18H9BrCl2N2S |
| Molecular Weight | 433.9047 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.9047 Da |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C#N)Br |
| InChIKey | WIAYXYQCXMUSGM-NTUHNPAUSA-N |
Chemical Property Profile of BAS 00758731
Property Insights of BAS 00758731
The XLogP value of 6.4 indicates that BAS 00758731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758731. Following Lipinski's Rule of Five, BAS 00758731 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00758731?
The CAS number of BAS 00758731 is 326915-73-5.
What is the molecular formula of BAS 00758731?
The molecular formula of BAS 00758731 is C18H9BrCl2N2S.
What is the molecular weight of BAS 00758731?
The molecular weight of BAS 00758731 is 433.9047 g/mol.
Where can I buy BAS 00758731?
You can request a quote for BAS 00758731 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00758731?
Yes, CoreyChem provides custom synthesis services for BAS 00758731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.