2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
TL;DR: 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 784172-19-6) is a chemical compound with molecular formula C10H14ClNO and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
Also Known As: 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 5-n-hexyl-4'nitrosalicylanilide, 2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone, 2-Chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-ethanone, BAS 12542165
| Molecular Formula | C10H14ClNO |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 2.54634 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.07639 |
| Heavy Atoms | 13 |
| Complexity | 327.9109 |
Chemical Identifiers
| CAS Number | 784172-19-6 |
|---|---|
| SMILES | CCN1C(=CC(=C1C)C(=O)CCl)C |
Product Overview
2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one (CAS 784172-19-6), with molecular formula C10H14ClNO and molecular weight 199.08 g/mol. IUPAC: 2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
Chemical Property Profile of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
Property Insights of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
The XLogP value of 2.54634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 22.0 Ų, 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one 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-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The CAS number of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one is 784172-19-6.
What is the molecular formula of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular formula of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one is C10H14ClNO.
What is the molecular weight of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
The molecular weight of 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one is 199.08 g/mol.
Where can I buy 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
You can request a quote for 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one 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-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.