![1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone structure](/static/products/4198/41981-05-9.webp)
1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
TL;DR: 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone (CAS 41981-05-9) is a chemical compound with molecular formula C12H10ClNOS and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
Also Known As: 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone, Ethanone, 1-[4-(chloromethyl)-2-phenyl-5-thiazolyl]-, 1-[4-(Chloromethyl)-2-phenyl-5-thiazolyl]ethanone, 1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethan-1-one, 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone #
| Molecular Formula | C12H10ClNOS |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.01717 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 41981-05-9 |
|---|---|
| SMILES | CC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CCl |
| InChIKey | DNVPOIZBWJBSQN-UHFFFAOYSA-N |
Product Overview
1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone (CAS 41981-05-9), with molecular formula C12H10ClNOS and molecular weight 251.02 g/mol. IUPAC: 1-[4-(chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone.
Chemical Property Profile of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
Property Insights of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone
The XLogP value of 3.1 indicates that 1-[4-(Chloromethyl)-2-phenyl-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-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Chloromethyl)-2-phenyl-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-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone?
The CAS number of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone is 41981-05-9.
What is the molecular formula of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone?
The molecular formula of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone is C12H10ClNOS.
What is the molecular weight of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone?
The molecular weight of 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone is 251.02 g/mol.
Where can I buy 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone?
You can request a quote for 1-[4-(Chloromethyl)-2-phenyl-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-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Chloromethyl)-2-phenyl-1,3-thiazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.