AB00758450-01
TL;DR: AB00758450-01 (CAS 862246-68-2) is a chemical compound with molecular formula C20H16BrN3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Also Known As: AB00758450-01, (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoethanamide, (Z)-N-benzyl-2-(3-(4-bromophenyl)-5-methyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetamide, N-benzyl-2-[3-(4-bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-acetamide, (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
| Molecular Formula | C20H16BrN3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 3.96898 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.01465 |
| Heavy Atoms | 27 |
| Complexity | 935.9492 |
Chemical Identifiers
| CAS Number | 862246-68-2 |
|---|---|
| SMILES | CC1C(=O)N(/C(=C(\C#N)/C(=O)NCC2=CC=CC=C2)/S1)C3=CC=C(C=C3)Br |
Product Overview
AB00758450-01 (CAS 862246-68-2), with molecular formula C20H16BrN3O2S and molecular weight 441.01 g/mol. IUPAC: (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide.
Chemical Property Profile of AB00758450-01
Property Insights of AB00758450-01
The XLogP value of 3.96898 indicates that AB00758450-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00758450-01. Following Lipinski's Rule of Five, AB00758450-01 has 1 hydrogen bond donor(s) and 4 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 AB00758450-01?
The CAS number of AB00758450-01 is 862246-68-2.
What is the molecular formula of AB00758450-01?
The molecular formula of AB00758450-01 is C20H16BrN3O2S.
What is the molecular weight of AB00758450-01?
The molecular weight of AB00758450-01 is 441.01 g/mol.
Where can I buy AB00758450-01?
You can request a quote for AB00758450-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00758450-01?
Yes, KEHONG BIO provides custom synthesis services for AB00758450-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.