(Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate
TL;DR: (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate (CAS 832741-03-4) is a chemical compound with molecular formula C12H10F2O5 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(difluoromethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoate
Also Known As: (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate, methyl 4-[3-(difluoromethoxy)phenyl]-2-hydroxy-4-oxobut-2-enoate, methyl 4-[3-(difluoromethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoate
| Molecular Formula | C12H10F2O5 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 1.929 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.04962 |
| Heavy Atoms | 19 |
| Complexity | 510.59613 |
Chemical Identifiers
| CAS Number | 832741-03-4 |
|---|---|
| SMILES | COC(=O)C(=O)C=C(C1=CC(=CC=C1)OC(F)F)O |
Product Overview
(Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate (CAS 832741-03-4), with molecular formula C12H10F2O5 and molecular weight 272.05 g/mol. IUPAC: methyl 4-[3-(difluoromethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate
Property Insights of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate
The XLogP value of 1.929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate. Following Lipinski's Rule of Five, (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate has 1 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 (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate?
The CAS number of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate is 832741-03-4.
What is the molecular formula of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate?
The molecular formula of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate is C12H10F2O5.
What is the molecular weight of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate?
The molecular weight of (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate is 272.05 g/mol.
Where can I buy (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate?
You can request a quote for (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(3-(difluoromethoxy)phenyl)-2-hydroxy-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.