RefChem:1057968
TL;DR: RefChem:1057968 (CAS 109901-81-7) is a chemical compound with molecular formula C26H23N5OS and molecular weight 453.16232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-2-(2-anilinoethyl)-4-benzylidene-N-[(E)-benzylideneamino]-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-5-oxo-2-(2-(phenylamino)ethyl)-4-(phenylmethylene)-, (phenylmethylene)hydrazide, BRN 6015168
Technical Specifications
| Molecular Formula | C26H23N5OS |
| Molecular Weight | 453.16232 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.16232 Da |
| Heavy Atoms | 33 |
| Complexity | 759.0 |
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)CCNC3=CC=CC=C3)C(=S)N/N=C/C4=CC=CC=C4 |
| InChIKey | AAXSJKSIOJNHMM-BTLNULKBSA-N |
Chemical Property Profile of RefChem:1057968
Property Insights of RefChem:1057968
The XLogP value of 5.5 indicates that RefChem:1057968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057968. Following Lipinski's Rule of Five, RefChem:1057968 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1057968?
The CAS number of RefChem:1057968 is 109901-81-7.
What is the molecular formula of RefChem:1057968?
The molecular formula of RefChem:1057968 is C26H23N5OS.
What is the molecular weight of RefChem:1057968?
The molecular weight of RefChem:1057968 is 453.16232 g/mol.
Where can I buy RefChem:1057968?
You can request a quote for RefChem:1057968 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1057968?
Yes, CoreyChem provides custom synthesis services for RefChem:1057968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.