A3180/0134658
TL;DR: A3180/0134658 (CAS 496797-78-5) is a chemical compound with molecular formula C25H17ClN2O2S and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
Also Known As: A3180/0134658, (2Z)-2-[5-(2-chlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile, (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile, (Z)-2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-3-oxo-3-phenylpropanenitrile, 1-[5-(2-CHLOROBENZYL)-4-OXO-3-PHENYL-1,3-THIAZOLAN-2-YLIDEN]-2-OXO-2-PHENYLETHYL CYANIDE
| Molecular Formula | C25H17ClN2O2S |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 5.64918 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.06992 |
| Heavy Atoms | 31 |
| Complexity | 1202.9514 |
Chemical Identifiers
| CAS Number | 496797-78-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=CC=C3Cl)C4=CC=CC=C4)/C#N |
Product Overview
A3180/0134658 (CAS 496797-78-5), with molecular formula C25H17ClN2O2S and molecular weight 444.07 g/mol. IUPAC: (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile.
Chemical Property Profile of A3180/0134658
Property Insights of A3180/0134658
The XLogP value of 5.64918 indicates that A3180/0134658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A3180/0134658. Following Lipinski's Rule of Five, A3180/0134658 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3180/0134658?
The CAS number of A3180/0134658 is 496797-78-5.
What is the molecular formula of A3180/0134658?
The molecular formula of A3180/0134658 is C25H17ClN2O2S.
What is the molecular weight of A3180/0134658?
The molecular weight of A3180/0134658 is 444.07 g/mol.
Where can I buy A3180/0134658?
You can request a quote for A3180/0134658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3180/0134658?
Yes, KEHONG BIO provides custom synthesis services for A3180/0134658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.