![2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide structure](/static/products/588/588682-28-4.png)
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide (CAS 588682-28-4) is a chemical compound with molecular formula C21H22BrN3O2S2 and molecular weight 491.03 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-[(E)-(5-bromo-2-butoxyphenyl)methylideneamino]propanamide
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide, 2-benzothiazol-2-ylsulfanyl-N-[(5-bromo-2-butoxy-phenyl)methylideneamino]propanamide, N-[(1E)-2-(5-bromo-2-butoxyphenyl)-1-azavinyl]-2-benzothiazol-2-ylthiopropanam ide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-butoxyphenyl)methylideneamino]propanamide
| Molecular Formula | C21H22BrN3O2S2 |
|---|---|
| Molecular Weight | 491.03 g/mol |
| LogP | 5.8686 |
| Topological Polar Surface Area | 63.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.0337 |
| Heavy Atoms | 29 |
| Complexity | 973.5098 |
Chemical Identifiers
| CAS Number | 588682-28-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(C)SC2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide (CAS 588682-28-4), with molecular formula C21H22BrN3O2S2 and molecular weight 491.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-butoxyphenyl)methylideneamino]propanamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide
The XLogP value of 5.8686 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide is 588682-28-4.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide is C21H22BrN3O2S2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide is 491.03 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide 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-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.