![3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide structure](/static/products/534/5348-46-9.png)
3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
TL;DR: 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide (CAS 5348-46-9) is a chemical compound with molecular formula C23H21BrN2OS and molecular weight 452.06 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,N-dibenzylacetamide bromide
Also Known As: 2-benzothiazol-3-yl-N,N-dibenzyl-acetamide Bromide, 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dibenzylacetamide bromide, 3-[2-(dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide, 3-[(DIBENZYLCARBAMOYL)METHYL]-1,3-BENZOTHIAZOL-3-IUM BROMIDE
| Molecular Formula | C23H21BrN2OS |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 1.4218 |
| Topological Polar Surface Area | 24.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0558 |
| Heavy Atoms | 28 |
| Complexity | 992.6179 |
Chemical Identifiers
| CAS Number | 5348-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C[N+]3=CSC4=CC=CC=C43.[Br-] |
Product Overview
3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide (CAS 5348-46-9), with molecular formula C23H21BrN2OS and molecular weight 452.06 g/mol. IUPAC: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dibenzylacetamide bromide.
Chemical Property Profile of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
Property Insights of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide
The XLogP value of 1.4218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide. With a topological polar surface area (TPSA) of 24.19 Ų, 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide has 0 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 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide?
The CAS number of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide is 5348-46-9.
What is the molecular formula of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide?
The molecular formula of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide is C23H21BrN2OS.
What is the molecular weight of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide?
The molecular weight of 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide is 452.06 g/mol.
Where can I buy 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide?
You can request a quote for 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(Dibenzylamino)-2-oxoethyl]-1,3-benzothiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.