Compound 76-544
TL;DR: Compound 76-544 (CAS 136769-35-2) is a chemical compound with molecular formula C14H7Cl3N2O2S and molecular weight 371.92938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxybenzamide
Also Known As: Compound 76-544, 3,5-Dichloro-N-(2-chloro-4-isothiocyanatophenyl)salicylamide, 3,5-dichloro-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxybenzamide, Benzamide,3,5-dichloro-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxy-, Benzamide,5-dichloro-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxy-
Technical Specifications
| Molecular Formula | C14H7Cl3N2O2S |
| Molecular Weight | 371.92938 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.92938 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Cl)Cl)O |
| InChIKey | WEZFEBZMOVTRFR-UHFFFAOYSA-N |
Chemical Property Profile of Compound 76-544
Property Insights of Compound 76-544
The XLogP value of 6.2 indicates that Compound 76-544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 76-544. Following Lipinski's Rule of Five, Compound 76-544 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Compound 76-544?
The CAS number of Compound 76-544 is 136769-35-2.
What is the molecular formula of Compound 76-544?
The molecular formula of Compound 76-544 is C14H7Cl3N2O2S.
What is the molecular weight of Compound 76-544?
The molecular weight of Compound 76-544 is 371.92938 g/mol.
Where can I buy Compound 76-544?
You can request a quote for Compound 76-544 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Compound 76-544?
Yes, CoreyChem provides custom synthesis services for Compound 76-544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.