N-benzothiazolylcinnamamide
TL;DR: N-benzothiazolylcinnamamide (CAS 75614-54-9) is a chemical compound with molecular formula C16H12N2OS and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
Also Known As: N-benzothiazolylcinnamamide, n-(1,3-benzothiazol-2-yl)-3-phenylacrylamide, N-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
| Molecular Formula | C16H12N2OS |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.06705 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 75614-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | PNEUBIRKKLKPJD-UHFFFAOYSA-N |
Product Overview
N-benzothiazolylcinnamamide (CAS 75614-54-9), with molecular formula C16H12N2OS and molecular weight 280.07 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide.
Chemical Property Profile of N-benzothiazolylcinnamamide
Property Insights of N-benzothiazolylcinnamamide
The XLogP value of 4.0 indicates that N-benzothiazolylcinnamamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzothiazolylcinnamamide. Following Lipinski's Rule of Five, N-benzothiazolylcinnamamide has 1 hydrogen bond donor(s) and 3 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 N-benzothiazolylcinnamamide?
The CAS number of N-benzothiazolylcinnamamide is 75614-54-9.
What is the molecular formula of N-benzothiazolylcinnamamide?
The molecular formula of N-benzothiazolylcinnamamide is C16H12N2OS.
What is the molecular weight of N-benzothiazolylcinnamamide?
The molecular weight of N-benzothiazolylcinnamamide is 280.07 g/mol.
Where can I buy N-benzothiazolylcinnamamide?
You can request a quote for N-benzothiazolylcinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzothiazolylcinnamamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzothiazolylcinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.