Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-
TL;DR: Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- (CAS 112086-85-8) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-, 1-(2-Hydroxy-4-chlorophenyl)-2,5-dimethyl-3,4-diacetylpyrrole, 1-(4-Acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)ethanone, 1-[4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone, 1,1'-[1-(4-Chloro-2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]di(ethan-1-one)
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 112086-85-8 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=C(C=C(C=C2)Cl)O)C)C(=O)C)C(=O)C |
| InChIKey | FJJYXGLSYMJGNP-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- (CAS 112086-85-8), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: 1-[4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-
Property Insights of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-. With a topological polar surface area (TPSA) of 59.3 Ų, Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- 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 Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-?
The CAS number of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- is 112086-85-8.
What is the molecular formula of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-?
The molecular formula of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- is C16H16ClNO3.
What is the molecular weight of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-?
The molecular weight of Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- is 305.08 g/mol.
Where can I buy Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-?
You can request a quote for Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-acetyl-1-(4-chloro-2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.