1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
TL;DR: 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 90086-44-5) is a chemical compound with molecular formula C8H10INO and molecular weight 262.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Also Known As: 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone, ketone, 5-iodo-2,4-dimethylpyrrol-3-yl methyl, AA-504/07476033, Ethanone, 1-(5-iodo-2,4-dimethylpyrazol-3-yl)-, 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone #
| Molecular Formula | C8H10INO |
|---|---|
| Molecular Weight | 262.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.9807 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 90086-44-5 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)I |
| InChIKey | QKQRITAHWAVZFN-UHFFFAOYSA-N |
Product Overview
1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 90086-44-5), with molecular formula C8H10INO and molecular weight 262.98 g/mol. IUPAC: 1-(5-iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Property Insights of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone. With a topological polar surface area (TPSA) of 32.9 Ų, 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Iodo-2,4-dimethyl-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-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The CAS number of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 90086-44-5.
What is the molecular formula of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular formula of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone is C8H10INO.
What is the molecular weight of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular weight of 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 262.98 g/mol.
Where can I buy 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
You can request a quote for 1-(5-Iodo-2,4-dimethyl-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-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Iodo-2,4-dimethyl-1H-pyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.