2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone
TL;DR: 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone (CAS 178456-18-3) is a chemical compound with molecular formula C7H8ClNO and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(1-methylpyrrol-2-yl)ethanone
Also Known As: 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone, 2-Chloro-1-(1-methyl-2-pyrrolyl)ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)ethanone, 2-chloro-1-(1-methylpyrrol-2-yl)ethanone, 2-chloroacetyl-1-methylpyrrole
| Molecular Formula | C7H8ClNO |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 1.4466 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.02943 |
| Heavy Atoms | 10 |
| Complexity | 241.50908 |
Chemical Identifiers
| CAS Number | 178456-18-3 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)CCl |
Product Overview
2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone (CAS 178456-18-3), with molecular formula C7H8ClNO and molecular weight 157.03 g/mol. IUPAC: 2-chloro-1-(1-methylpyrrol-2-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone
Property Insights of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone
The XLogP value of 1.4466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone. With a topological polar surface area (TPSA) of 22.0 Ų, 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone 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
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone?
The CAS number of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone is 178456-18-3.
What is the molecular formula of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone?
The molecular formula of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone is C7H8ClNO.
What is the molecular weight of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone?
The molecular weight of 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone is 157.03 g/mol.
Where can I buy 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone?
You can request a quote for 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.