3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide
TL;DR: 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide (CAS 181069-84-1) is a chemical compound with molecular formula C13H13Br2NOS and molecular weight 388.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide
Also Known As: 3-(2-(4-bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide, 3-[2-(4-BROMOPHENYL)-2-OXOETHYL]-4,5-DIMETHYL-1,3-THIAZOL-3-IUM BROMIDE, 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-yl)ethanone Bromide, 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide, 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone;bromide
| Molecular Formula | C13H13Br2NOS |
|---|---|
| Molecular Weight | 388.91 g/mol |
| LogP | 0.30184 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.90845 |
| Heavy Atoms | 18 |
| Complexity | 548.61896 |
Chemical Identifiers
| CAS Number | 181069-84-1 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)C.[Br-] |
Product Overview
3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide (CAS 181069-84-1), with molecular formula C13H13Br2NOS and molecular weight 388.91 g/mol. IUPAC: 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide.
Chemical Property Profile of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide
Property Insights of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide
The XLogP value of 0.30184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-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-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide?
The CAS number of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide is 181069-84-1.
What is the molecular formula of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide?
The molecular formula of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide is C13H13Br2NOS.
What is the molecular weight of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide?
The molecular weight of 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide is 388.91 g/mol.
Where can I buy 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide?
You can request a quote for 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-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-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(4-Bromophenyl)-2-oxoethyl)-4,5-dimethylthiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.