methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate
TL;DR: methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate (CAS 127244-97-7) is a chemical compound with molecular formula C13H9Cl3O4 and molecular weight 333.96 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-3-oxo-5-phenylfuran-2-yl)acetate
Also Known As: methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate, Methyl 2,3-dihydro-3-oxo-5-phenyl-alpha,2,4-trichloro-2-furanacetate, 2-Furanacetic acid, 2,3-dihydro-3-oxo-5-phenyl-alpha,2,4-trichloro-, methyl ester, (R)-TERT-BUTYL 3-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE, 2-Furanacetic acid, a,2,4-trichloro-2,3-dihydro-3-oxo-5-phenyl-,methyl ester (9CI)
| Molecular Formula | C13H9Cl3O4 |
|---|---|
| Molecular Weight | 333.96 g/mol |
| LogP | 2.9088 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.95663 |
| Heavy Atoms | 20 |
| Complexity | 584.5389 |
Chemical Identifiers
| CAS Number | 127244-97-7 |
|---|---|
| SMILES | COC(=O)C(C1(C(=O)C(=C(O1)C2=CC=CC=C2)Cl)Cl)Cl |
Product Overview
methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate (CAS 127244-97-7), with molecular formula C13H9Cl3O4 and molecular weight 333.96 g/mol. IUPAC: methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate.
Chemical Property Profile of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate
Property Insights of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate
The XLogP value of 2.9088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate. With a topological polar surface area (TPSA) of 52.6 Ų, methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate 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-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate?
The CAS number of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate is 127244-97-7.
What is the molecular formula of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate?
The molecular formula of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate is C13H9Cl3O4.
What is the molecular weight of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate?
The molecular weight of methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate is 333.96 g/mol.
Where can I buy methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate?
You can request a quote for methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-2-(2,4-dichloro-3-oxo-5-phenylfuran-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.