Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate
TL;DR: Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate (CAS 127244-98-8) is a chemical compound with molecular formula C14H11Cl3O4 and molecular weight 347.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate
Also Known As: Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate, 2-Furanacetic acid, 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-, methyl ester, 2-Chloro-2-[chloro(methoxycarbonyl)methyl]-4-chloro-5-(4-methylphenyl)furan-3(2H)-one, methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxo-2,3-dihydrofuran-2-yl]acetate, methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate
| Molecular Formula | C14H11Cl3O4 |
|---|---|
| Molecular Weight | 347.97 g/mol |
| LogP | 3.21722 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.9723 |
| Heavy Atoms | 21 |
| Complexity | 623.6112 |
Chemical Identifiers
| CAS Number | 127244-98-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=O)C(O2)(C(C(=O)OC)Cl)Cl)Cl |
Product Overview
Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate (CAS 127244-98-8), with molecular formula C14H11Cl3O4 and molecular weight 347.97 g/mol. IUPAC: methyl 2-chloro-2-[2,4-dichloro-5-(4-methylphenyl)-3-oxofuran-2-yl]acetate.
Chemical Property Profile of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate
Property Insights of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate
The XLogP value of 3.21722 indicates that Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate has 0 hydrogen bond donor(s) and 4 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 Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate?
The CAS number of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate is 127244-98-8.
What is the molecular formula of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate?
The molecular formula of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate is C14H11Cl3O4.
What is the molecular weight of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate?
The molecular weight of Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate is 347.97 g/mol.
Where can I buy Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate?
You can request a quote for Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dihydro-5-(4-methylphenyl)-3-oxo-alpha,2,4-trichloro-2-furanacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.