N-Acetyl-2-chloropyrrole
TL;DR: N-Acetyl-2-chloropyrrole (CAS 84455-05-0) is a chemical compound with molecular formula C6H6ClNO and molecular weight 143.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloropyrrol-1-yl)ethanone
Also Known As: N-ACETYL-2-CHLOROPYRROLE, 1-Acetyl-2-chloropyrrole, 1-Acetyl-2-chloro-1H-pyrrole, 1-(2-chloropyrrol-1-yl)ethanone, 1-Acetyl-2-chloro-1H-pyrrole #
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6ClNO |
| Molecular Weight | 143.0138 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0138 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | CC(=O)N1C=CC=C1Cl |
| InChIKey | ZZPIQZARIYHADW-UHFFFAOYSA-N |
Product Description
Applications: N-Acetyl-2-chloropyrrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Acetyl-2-chloropyrrole (CAS 84455-05-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, N-Acetyl-2-chloropyrrole (CAS 84455-05-0) has the molecular formula C6H6ClNO and a molecular weight of 143.01 g/mol. It is also known as N-ACETYL-2-CHLOROPYRROLE and 1-Acetyl-2-chloropyrrole.
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 N-Acetyl-2-chloropyrrole
Property Insights of N-Acetyl-2-chloropyrrole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-2-chloropyrrole. With a topological polar surface area (TPSA) of 22.0 Ų, N-Acetyl-2-chloropyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetyl-2-chloropyrrole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Acetyl-2-chloropyrrole?
The CAS number of N-Acetyl-2-chloropyrrole is 84455-05-0.
What is the molecular formula of N-Acetyl-2-chloropyrrole?
The molecular formula of N-Acetyl-2-chloropyrrole is C6H6ClNO.
What is the molecular weight of N-Acetyl-2-chloropyrrole?
The molecular weight of N-Acetyl-2-chloropyrrole is 143.0138 g/mol.
What are the applications of N-Acetyl-2-chloropyrrole?
N-Acetyl-2-chloropyrrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Acetyl-2-chloropyrrole (CAS 84455-05-0) with custom synthesis available from milligram to...
Where can I buy N-Acetyl-2-chloropyrrole?
You can request a quote for N-Acetyl-2-chloropyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetyl-2-chloropyrrole?
Yes, CoreyChem provides custom synthesis services for N-Acetyl-2-chloropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.