1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone
TL;DR: 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone (CAS 91270-28-9) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dichloro-2-hydroxy-6-methylphenyl)ethanone
Also Known As: 1-(3,5-dichloro-2-hydroxy-6-methylphenyl)ethanone, KST-1B9191, 3,5-Dichlor-2-hydroxy-6-methyl-acetophenon, Ethanone,1-(3,5-dichloro-2-hydroxy-6-methylphenyl)-, 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethan-1-one
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 91270-28-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1Cl)Cl)O)C(=O)C |
| InChIKey | XZJZDWLTPWIMHM-UHFFFAOYSA-N |
Product Overview
1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone (CAS 91270-28-9), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: 1-(3,5-dichloro-2-hydroxy-6-methylphenyl)ethanone.
Chemical Property Profile of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone
Property Insights of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone
The XLogP value of 3.4 indicates that 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone has 1 hydrogen bond donor(s) and 2 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-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone?
The CAS number of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone is 91270-28-9.
What is the molecular formula of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone?
The molecular formula of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone is C9H8Cl2O2.
What is the molecular weight of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone?
The molecular weight of 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone is 217.99 g/mol.
Where can I buy 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone?
You can request a quote for 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dichloro-2-hydroxy-6-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.