AB00758458-01
TL;DR: AB00758458-01 (CAS 850751-57-4) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[5-methyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Also Known As: AB00758458-01, (2Z)-2-cyano-2-[5-methyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)ethanamide, (2Z)-2-cyano-2-[5-methyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide, (Z)-2-cyano-2-(5-methyl-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-N-phenethylacetamide, (2Z)-2-cyano-2-[5-methyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenethylacetamide
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.5574 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 945.9972 |
Chemical Identifiers
| CAS Number | 850751-57-4 |
|---|---|
| SMILES | CC1C(=O)N(/C(=C(\C#N)/C(=O)NCCC2=CC=CC=C2)/S1)C3=CC=C(C=C3)C |
Product Overview
AB00758458-01 (CAS 850751-57-4), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: (2Z)-2-cyano-2-[5-methyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of AB00758458-01
Property Insights of AB00758458-01
The XLogP value of 3.5574 indicates that AB00758458-01 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 AB00758458-01. Following Lipinski's Rule of Five, AB00758458-01 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 AB00758458-01?
The CAS number of AB00758458-01 is 850751-57-4.
What is the molecular formula of AB00758458-01?
The molecular formula of AB00758458-01 is C22H21N3O2S.
What is the molecular weight of AB00758458-01?
The molecular weight of AB00758458-01 is 391.14 g/mol.
Where can I buy AB00758458-01?
You can request a quote for AB00758458-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00758458-01?
Yes, KEHONG BIO provides custom synthesis services for AB00758458-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.