5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide
TL;DR: 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide (CAS 476410-69-2) is a chemical compound with molecular formula C26H31Br2NO3S and molecular weight 595.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)acetate bromide
Also Known As: 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide, 5-(2-{[2-(adamantan-1-yl)acetyl]oxy}ethyl)-3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium bromide, 5-(2-[[2-(Adamantan-1-yl)acetyl]oxy]ethyl)-3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium bromide
| Molecular Formula | C26H31Br2NO3S |
|---|---|
| Molecular Weight | 595.04 g/mol |
| LogP | 2.68562 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 595.0391 |
| Heavy Atoms | 33 |
| Complexity | 981.7602 |
Chemical Identifiers
| CAS Number | 476410-69-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.[Br-] |
Product Overview
5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide (CAS 476410-69-2), with molecular formula C26H31Br2NO3S and molecular weight 595.04 g/mol. IUPAC: 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)acetate bromide.
Chemical Property Profile of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide
Property Insights of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide
The XLogP value of 2.68562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide. With a topological polar surface area (TPSA) of 47.25 Ų, 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide?
The CAS number of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide is 476410-69-2.
What is the molecular formula of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide?
The molecular formula of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide is C26H31Br2NO3S.
What is the molecular weight of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide?
The molecular weight of 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide is 595.04 g/mol.
Where can I buy 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide?
You can request a quote for 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-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 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(2-(Adamantan-1-yl)acetoxy)ethyl)-3-(2-(4-bromophenyl)-2-oxoethyl)-4-methylthiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.