dimethyl 1,2-dibenzoylmaleate
TL;DR: dimethyl 1,2-dibenzoylmaleate (CAS 84269-97-6) is a chemical compound with molecular formula C19H23ClN2O6S and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;methanesulfonic acid
Also Known As: dimethyl 1,2-dibenzoylmaleate, Cid 158620, 2-Oxazolidinone, 3-(4-((3-chlorophenyl)methoxy)phenyl)-5-((methylamino)methyl)-, monomethanesulfonate, 3-(4-((3-Chlorobenzyl)oxy)phenyl)-5-((methylamino)methyl)oxazolidin-2-one methanesulfonate, 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one,methanesulfonic acid
| Molecular Formula | C19H23ClN2O6S |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 2.9676 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.09653 |
| Heavy Atoms | 29 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 84269-97-6 |
|---|---|
| SMILES | CNCC1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl.CS(=O)(=O)O |
| InChIKey | WQWXUPMCRORTRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dimethyl 1,2-dibenzoylmaleate (CAS 84269-97-6), with molecular formula C19H23ClN2O6S and molecular weight 442.10 g/mol. IUPAC: 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;methanesulfonic acid.
Chemical Property Profile of dimethyl 1,2-dibenzoylmaleate
Property Insights of dimethyl 1,2-dibenzoylmaleate
The XLogP value of 2.9676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1,2-dibenzoylmaleate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1,2-dibenzoylmaleate. Following Lipinski's Rule of Five, dimethyl 1,2-dibenzoylmaleate has 2 hydrogen bond donor(s) and 7 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 dimethyl 1,2-dibenzoylmaleate?
The CAS number of dimethyl 1,2-dibenzoylmaleate is 84269-97-6.
What is the molecular formula of dimethyl 1,2-dibenzoylmaleate?
The molecular formula of dimethyl 1,2-dibenzoylmaleate is C19H23ClN2O6S.
What is the molecular weight of dimethyl 1,2-dibenzoylmaleate?
The molecular weight of dimethyl 1,2-dibenzoylmaleate is 442.10 g/mol.
Where can I buy dimethyl 1,2-dibenzoylmaleate?
You can request a quote for dimethyl 1,2-dibenzoylmaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1,2-dibenzoylmaleate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1,2-dibenzoylmaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.