1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
TL;DR: 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one (CAS 86319-91-7) is a chemical compound with molecular formula C17H15N3OS and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
Also Known As: 1-(2-Benzothiazolyl)-1,3-butanedione 3-(phenylhydrazone), 1,3-Butanedione, 1-(2-benzothiazolyl)-, 3-(phenylhydrazone), 1,3-Butanedione,1-(2-benzothiazolyl)-, 3-(2-phenylhydrazone), 1-(2-benzo[d]thiazolyl)-1,3-butanedione 3-(phenylhydrazone)
| Molecular Formula | C17H15N3OS |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 4.3571 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.0936 |
| Heavy Atoms | 22 |
| Complexity | 791.051 |
Chemical Identifiers
| CAS Number | 86319-91-7 |
|---|---|
| SMILES | CC(=NNC1=CC=CC=C1)CC(=O)C2=NC3=CC=CC=C3S2 |
Product Overview
1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one (CAS 86319-91-7), with molecular formula C17H15N3OS and molecular weight 309.09 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
Property Insights of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one
The XLogP value of 4.3571 indicates that 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.35 Ų, 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one has 1 hydrogen bond donor(s) and 5 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 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one?
The CAS number of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one is 86319-91-7.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one is C17H15N3OS.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one is 309.09 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazinylidene)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.