![3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate structure](/static/products/331/331677-12-4.png)
3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate
TL;DR: 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate (CAS 331677-12-4) is a chemical compound with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] benzoate
Also Known As: BAS 00459509, 3-[2-(1,3-benzothiazol-2-yl)carbohydrazonoyl]phenyl benzoate, 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate, Benzoic acid 3-(benzothiazol-2-yl-hydrazonomethyl)-phenyl ester, (E)-3-((2-(benzo[d]thiazol-2-yl)hydrazono)methyl)phenyl benzoate
| Molecular Formula | C21H15N3O2S |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 4.9615 |
| Topological Polar Surface Area | 63.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0885 |
| Heavy Atoms | 27 |
| Complexity | 1073.5876 |
Chemical Identifiers
| CAS Number | 331677-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC3=NC4=CC=CC=C4S3 |
Product Overview
3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate (CAS 331677-12-4), with molecular formula C21H15N3O2S and molecular weight 373.09 g/mol. IUPAC: [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] benzoate.
Chemical Property Profile of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate
Property Insights of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate
The XLogP value of 4.9615 indicates that 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate 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 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate. Following Lipinski's Rule of Five, 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate 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 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate?
The CAS number of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate is 331677-12-4.
What is the molecular formula of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate?
The molecular formula of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate is C21H15N3O2S.
What is the molecular weight of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate?
The molecular weight of 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate is 373.09 g/mol.
Where can I buy 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate?
You can request a quote for 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.