N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
TL;DR: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide (CAS 6276-75-1) is a chemical compound with molecular formula C21H16ClN3O2S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
Also Known As: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
| Molecular Formula | C21H16ClN3O2S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.0885 |
| Topological Polar Surface Area | 63.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0652 |
| Heavy Atoms | 28 |
| Complexity | 1198.3164 |
Chemical Identifiers
| CAS Number | 6276-75-1 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CC=C3Cl)S2)CC#C |
Product Overview
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide (CAS 6276-75-1), with molecular formula C21H16ClN3O2S and molecular weight 409.07 g/mol. IUPAC: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide.
Chemical Property Profile of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
Property Insights of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide
The XLogP value of 4.0885 indicates that N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide 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-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide?
The CAS number of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide is 6276-75-1.
What is the molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide?
The molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide is C21H16ClN3O2S.
What is the molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide?
The molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide is 409.07 g/mol.
Where can I buy N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide?
You can request a quote for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.