N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide
TL;DR: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide (CAS 686281-56-1) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide
Also Known As: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide, VU0509139-1, F3098-3630, N-(6-methoxybenzo[d]thiazol-2-yl)-3-methylbut-2-enamide, N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-2-butenamide
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 686281-56-1 |
|---|---|
| SMILES | CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)C |
| InChIKey | FFDQWGDBAMFJEO-UHFFFAOYSA-N |
Product Overview
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide (CAS 686281-56-1), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide.
Chemical Property Profile of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide
Property Insights of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide
The XLogP value of 3.3 indicates that N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide. Following Lipinski's Rule of Five, N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide has 1 hydrogen bond donor(s) and 4 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-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide?
The CAS number of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide is 686281-56-1.
What is the molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide?
The molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide is C13H14N2O2S.
What is the molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide?
The molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide is 262.08 g/mol.
Where can I buy N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide?
You can request a quote for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-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-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbut-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.