(E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
TL;DR: (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione (CAS 5555-86-2) is a chemical compound with molecular formula C13H11Cl3O3 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
Also Known As: BIM-0006247.P001, (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione, 1,1,1-Trichloro-6-(4-methoxyphenyl)-5-hexene-2,4-dione, (5E)-1,1,1-TRICHLORO-6-(4-METHOXYPHENYL)HEX-5-ENE-2,4-DIONE
| Molecular Formula | C13H11Cl3O3 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 3.6069 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.9774 |
| Heavy Atoms | 19 |
| Complexity | 486.85007 |
Chemical Identifiers
| CAS Number | 5555-86-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)CC(=O)C(Cl)(Cl)Cl |
Product Overview
(E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione (CAS 5555-86-2), with molecular formula C13H11Cl3O3 and molecular weight 319.98 g/mol. IUPAC: (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione.
Chemical Property Profile of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
Property Insights of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
The XLogP value of 3.6069 indicates that (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione has 0 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 (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione?
The CAS number of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione is 5555-86-2.
What is the molecular formula of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione?
The molecular formula of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione is C13H11Cl3O3.
What is the molecular weight of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione?
The molecular weight of (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione is 319.98 g/mol.
Where can I buy (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione?
You can request a quote for (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.