1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone
TL;DR: 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone (CAS 55507-79-4) is a chemical compound with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one
Also Known As: 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone, 1-Pentanone, 1-(2,3-dichloro-4-hydroxyphenyl)-, 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one, 1-(2,3-Dichloro-4-hydroxy-phenyl)-pentan-1-one, 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone #
| Molecular Formula | C11H12Cl2O2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.02144 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 55507-79-4 |
|---|---|
| SMILES | CCCCC(=O)C1=C(C(=C(C=C1)O)Cl)Cl |
| InChIKey | BHORURDRTBGQPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone (CAS 55507-79-4), with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol. IUPAC: 1-(2,3-dichloro-4-hydroxyphenyl)pentan-1-one.
Chemical Property Profile of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone
Property Insights of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone
The XLogP value of 3.9 indicates that 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone 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-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone 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-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone?
The CAS number of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone is 55507-79-4.
What is the molecular formula of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone?
The molecular formula of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone is C11H12Cl2O2.
What is the molecular weight of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone?
The molecular weight of 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone is 246.02 g/mol.
Where can I buy 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone?
You can request a quote for 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dichloro-4-hydroxyphenyl)-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.