3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide
TL;DR: 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide (CAS 328025-12-3) is a chemical compound with molecular formula C17H10ClN3OS and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(E)-(4-cyanophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: AN-329/40543538, 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide, 3-chloro-N-[(E)-(4-cyanophenyl)methylideneamino]-1-benzothiophene-2-carboxamide, 3-chloro-N'-(4-cyanobenzylidene)-1-benzo[b]thiophene-2-carbohydrazide, 3-chloro-N'-[(E)-(4-cyanophenyl)methylidene]-1-benzothiophene-2-carbohydrazide
| Molecular Formula | C17H10ClN3OS |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 4.19028 |
| Topological Polar Surface Area | 65.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.02332 |
| Heavy Atoms | 23 |
| Complexity | 938.622 |
Chemical Identifiers
| CAS Number | 328025-12-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)N/N=C/C3=CC=C(C=C3)C#N)Cl |
Product Overview
3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide (CAS 328025-12-3), with molecular formula C17H10ClN3OS and molecular weight 339.02 g/mol. IUPAC: 3-chloro-N-[(E)-(4-cyanophenyl)methylideneamino]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide
Property Insights of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide
The XLogP value of 4.19028 indicates that 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide. Following Lipinski's Rule of Five, 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide 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 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide?
The CAS number of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide is 328025-12-3.
What is the molecular formula of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide?
The molecular formula of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide is C17H10ClN3OS.
What is the molecular weight of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide?
The molecular weight of 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide is 339.02 g/mol.
Where can I buy 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide?
You can request a quote for 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N'-(4-cyanobenzylidene)-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.