(2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate
TL;DR: (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate (CAS 840478-55-9) is a chemical compound with molecular formula C25H27Cl2N3O2S2 and molecular weight 535.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl (2Z)-2-[4-(3,4-dichlorophenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-3-propyliminobutanoate
Also Known As: (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate, 2-methylpropyl (2Z)-2-[4-(3,4-dichlorophenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-3-propyliminobutanoate, 2-methylpropyl (2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-(propylimino)butanoate
| Molecular Formula | C25H27Cl2N3O2S2 |
|---|---|
| Molecular Weight | 535.09 g/mol |
| LogP | 7.5348 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.09216 |
| Heavy Atoms | 34 |
| Complexity | 1120.3988 |
Chemical Identifiers
| CAS Number | 840478-55-9 |
|---|---|
| SMILES | CCCN=C(C)/C(=C/1\N(C(=S)N(S1)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)OCC(C)C |
Product Overview
(2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate (CAS 840478-55-9), with molecular formula C25H27Cl2N3O2S2 and molecular weight 535.09 g/mol. IUPAC: 2-methylpropyl (2Z)-2-[4-(3,4-dichlorophenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-3-propyliminobutanoate.
Chemical Property Profile of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate
Property Insights of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate
The XLogP value of 7.5348 indicates that (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate?
The CAS number of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate is 840478-55-9.
What is the molecular formula of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate?
The molecular formula of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate is C25H27Cl2N3O2S2.
What is the molecular weight of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate?
The molecular weight of (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate is 535.09 g/mol.
Where can I buy (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate?
You can request a quote for (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z,3E)-isobutyl 2-(4-(3,4-dichlorophenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazolidin-5-ylidene)-3-(propylimino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.