![2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide structure](/static/products/5319/5319-40-4.webp)
2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide
TL;DR: 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide (CAS 5319-40-4) is a chemical compound with molecular formula C21H21FN4OS2 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Also Known As: 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
| Molecular Formula | C21H21FN4OS2 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.58642 |
| Topological Polar Surface Area | 57.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11407 |
| Heavy Atoms | 29 |
| Complexity | 1027.0157 |
Chemical Identifiers
| CAS Number | 5319-40-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2)F)N4CCCC4 |
Product Overview
2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide (CAS 5319-40-4), with molecular formula C21H21FN4OS2 and molecular weight 428.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide
Property Insights of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide
The XLogP value of 4.58642 indicates that 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.59 Ų, 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide has 1 hydrogen bond donor(s) and 6 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 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide?
The CAS number of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide is 5319-40-4.
What is the molecular formula of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide?
The molecular formula of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide is C21H21FN4OS2.
What is the molecular weight of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide?
The molecular weight of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide is 428.11 g/mol.
Where can I buy 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide?
You can request a quote for 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N'-{[5-fluoro-2-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.