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1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one
TL;DR: 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one (CAS 866018-99-7) is a chemical compound with molecular formula C21H19IN2O and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one
Also Known As: 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one, (E)-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-3-(4-iodoanilino)-2-propen-1-one, 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-[(4-iodophenyl)amino]prop-2-en-1-one
| Molecular Formula | C21H19IN2O |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 5.50724 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0542 |
| Heavy Atoms | 25 |
| Complexity | 886.57404 |
Chemical Identifiers
| CAS Number | 866018-99-7 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)C=CNC3=CC=C(C=C3)I)C |
Product Overview
1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one (CAS 866018-99-7), with molecular formula C21H19IN2O and molecular weight 442.05 g/mol. IUPAC: 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one.
Chemical Property Profile of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one
Property Insights of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one
The XLogP value of 5.50724 indicates that 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.03 Ų, 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one?
The CAS number of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one is 866018-99-7.
What is the molecular formula of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one?
The molecular formula of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one is C21H19IN2O.
What is the molecular weight of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one?
The molecular weight of 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one is 442.05 g/mol.
Where can I buy 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one?
You can request a quote for 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-3-(4-iodoanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.