(E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met
TL;DR: (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met (CAS 4108-00-3) is a chemical compound with molecular formula C16H12ClFO4 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Also Known As: (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met, 1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H12ClFO4 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0408 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4108-00-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)C2=C(C(=CC(=C2)F)Cl)O)O |
| InChIKey | KFMTUPMILGYGTQ-UHFFFAOYSA-N |
Product Overview
(E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met (CAS 4108-00-3), with molecular formula C16H12ClFO4 and molecular weight 322.04 g/mol. IUPAC: 1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met
Property Insights of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met
The XLogP value of 4.2 indicates that (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met. Following Lipinski's Rule of Five, (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met has 2 hydrogen bond donor(s) and 5 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 (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met?
The CAS number of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met is 4108-00-3.
What is the molecular formula of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met?
The molecular formula of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met is C16H12ClFO4.
What is the molecular weight of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met?
The molecular weight of (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met is 322.04 g/mol.
Where can I buy (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met?
You can request a quote for (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-chloro-5-fluoro-2-hydroxyphenyl)-3-(4-hydroxy-3-met and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.