2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile (CAS 392238-56-1) is a chemical compound with molecular formula C23H14N2O2S and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile
Also Known As: 3-(4-benzoylphenyl)-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxopropanenitrile
| Molecular Formula | C23H14N2O2S |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0776 |
| Heavy Atoms | 28 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 392238-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=C(C#N)C3=NC4=CC=CC=C4S3)O |
| InChIKey | FHLYASQBVAQRHQ-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile (CAS 392238-56-1), with molecular formula C23H14N2O2S and molecular weight 382.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 5.0 indicates that 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile 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 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile is 392238-56-1.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile is C23H14N2O2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile is 382.08 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile 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)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-(4-benzoylphenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.