Chlormezanone
TL;DR: Chlormezanone (CAS 80-77-3) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
Also Known As: chlormezanone, Chlormethazanone, Trancopal, Chlormethazone, Clormetazanone
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12ClNO3S |
| Molecular Weight | 273.02264 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.02264 Da |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
| Melting Point | 116.2-118.6 |
| Solubility | 2500 |
| SMILES | CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | WEQAYVWKMWHEJO-UHFFFAOYSA-N |
Product Description
Applications: Chlormezanone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Chlormezanone is a pharmaceutical intermediate identified by CAS number 80-77-3 and the molecular formula C11H12ClNO3S and a molecular weight of 273.02 g/mol. Physically, the compound has a solubility: 2500. Synonyms include chlormezanone and Chlormethazanone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Chlormezanone
Property Insights of Chlormezanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlormezanone. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlormezanone. Following Lipinski's Rule of Five, Chlormezanone 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
What is the CAS number of Chlormezanone?
The CAS number of Chlormezanone is 80-77-3.
What is the molecular formula of Chlormezanone?
The molecular formula of Chlormezanone is C11H12ClNO3S.
What is the molecular weight of Chlormezanone?
The molecular weight of Chlormezanone is 273.02264 g/mol.
What are the applications of Chlormezanone?
Chlormezanone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Chlormezanone?
You can request a quote for Chlormezanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlormezanone?
Yes, CoreyChem provides custom synthesis services for Chlormezanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.