![1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone structure](/static/products/4198/41981-07-1.webp)
1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone
TL;DR: 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone (CAS 41981-07-1) is a chemical compound with molecular formula C12H9BrClNOS and molecular weight 328.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone
Also Known As: 5,5'-Trimethylenedihydantoin, 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone, 1-[2- -4- -1,3-thiazol-5-yl]ethanone, Ethanone, 1-[2-(4-bromophenyl)-4-(chloromethyl)-5-thiazolyl]-, 1-[2-(4-bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethan-1-one
| Molecular Formula | C12H9BrClNOS |
|---|---|
| Molecular Weight | 328.93 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.92767 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 41981-07-1 |
|---|---|
| SMILES | CC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)Br)CCl |
| InChIKey | WYCIFCKTMULMNS-UHFFFAOYSA-N |
Product Overview
1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone (CAS 41981-07-1), with molecular formula C12H9BrClNOS and molecular weight 328.93 g/mol. IUPAC: 1-[2-(4-bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone.
Chemical Property Profile of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone
Property Insights of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone
The XLogP value of 3.7 indicates that 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone has 0 hydrogen bond donor(s) and 3 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 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone?
The CAS number of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone is 41981-07-1.
What is the molecular formula of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone?
The molecular formula of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone is C12H9BrClNOS.
What is the molecular weight of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone?
The molecular weight of 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone is 328.93 g/mol.
Where can I buy 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone?
You can request a quote for 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Bromophenyl)-4-(chloromethyl)-1,3-thiazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.