2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide
TL;DR: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide (CAS 5354-30-3) is a chemical compound with molecular formula C12H13BrN2OS and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide bromide
Also Known As: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide, 2-benzothiazol-3-yl-N-prop-2-enyl-acetamide Bromide, 3-[2-(allylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide, 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide bromide, 3-{2-Oxo-2-[(prop-2-en-1-yl)amino]ethyl}-1,3-benzothiazol-3-ium bromide
| Molecular Formula | C12H13BrN2OS |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | -1.505 |
| Topological Polar Surface Area | 32.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.9932 |
| Heavy Atoms | 17 |
| Complexity | 523.9549 |
Chemical Identifiers
| CAS Number | 5354-30-3 |
|---|---|
| SMILES | C=CCNC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-] |
Product Overview
2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide (CAS 5354-30-3), with molecular formula C12H13BrN2OS and molecular weight 311.99 g/mol. IUPAC: 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide bromide.
Chemical Property Profile of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide
Property Insights of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide
The XLogP value of -1.505 indicates that 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.98 Ų, 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide has 1 hydrogen bond donor(s) and 2 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-3-ium-3-yl)-N-prop-2-enylacetamide;bromide?
The CAS number of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide is 5354-30-3.
What is the molecular formula of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide?
The molecular formula of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide is C12H13BrN2OS.
What is the molecular weight of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide?
The molecular weight of 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide is 311.99 g/mol.
Where can I buy 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide?
You can request a quote for 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide 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-3-ium-3-yl)-N-prop-2-enylacetamide;bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-3-ium-3-yl)-N-prop-2-enylacetamide;bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.