2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one
TL;DR: 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one (CAS 53391-46-1) is a chemical compound with molecular formula C6H5ClN2O3 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethanone
Also Known As: 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethanone, 2-CHLORO-1- ETHANONE, 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one, Silane,bis(4-chlorophenyl)diethenyl, 962-236-9
| Molecular Formula | C6H5ClN2O3 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 1.3444 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.99887 |
| Heavy Atoms | 12 |
| Complexity | 320.34802 |
Chemical Identifiers
| CAS Number | 53391-46-1 |
|---|---|
| SMILES | C1=C(NC=C1[N+](=O)[O-])C(=O)CCl |
Product Overview
2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one (CAS 53391-46-1), with molecular formula C6H5ClN2O3 and molecular weight 188.00 g/mol. IUPAC: 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one
Property Insights of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one
The XLogP value of 1.3444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one has 1 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 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one?
The CAS number of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one is 53391-46-1.
What is the molecular formula of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one is C6H5ClN2O3.
What is the molecular weight of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one is 188.00 g/mol.
Where can I buy 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2-chloro-1-(4-nitro-1H-pyrrol-2-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-(4-nitro-1H-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.