1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone
TL;DR: 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone (CAS 790719-57-2) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-chlorophenyl)methyl]-2-methyl-1H-pyrrol-3-yl]ethanone
Also Known As: 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone, VU0613285-1, F3375-2882, 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one, 1-{4-[(2-chlorophenyl)methyl]-2-methyl-1H-pyrrol-3-yl}ethan-1-one
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.76992 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 557.0999 |
Chemical Identifiers
| CAS Number | 790719-57-2 |
|---|---|
| SMILES | CC1=C(C(=CN1)CC2=CC=CC=C2Cl)C(=O)C |
Product Overview
1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone (CAS 790719-57-2), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: 1-[4-[(2-chlorophenyl)methyl]-2-methyl-1H-pyrrol-3-yl]ethanone.
Chemical Property Profile of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone
Property Insights of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone
The XLogP value of 3.76992 indicates that 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone has 1 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 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone?
The CAS number of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone is 790719-57-2.
What is the molecular formula of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone?
The molecular formula of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone is C14H14ClNO.
What is the molecular weight of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone?
The molecular weight of 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone is 247.08 g/mol.
Where can I buy 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone?
You can request a quote for 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(2-chlorobenzyl)-2-methyl-1H-pyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.