Diethyl 5,5'-methylenedianthranilate
TL;DR: Diethyl 5,5'-methylenedianthranilate (CAS 15403-44-8) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-[(4-amino-3-ethoxycarbonylphenyl)methyl]benzoate
Also Known As: Diethyl 5,5'-methylenedianthranilate, Diethyl 5,5/'-methylenedianthranilate, diethyl 3,3'-methylenebis(6-aminobenzoate), 4,4'-methylenebis(o-carboethoxyaniline), 3,3'-Di(ethoxycarbonyl)-4,4'-diaminodiphenylmethane
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 15403-44-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCC)N |
| InChIKey | HQNXNKDEVVRPSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 5,5'-methylenedianthranilate (CAS 15403-44-8), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: ethyl 2-amino-5-[(4-amino-3-ethoxycarbonylphenyl)methyl]benzoate.
Chemical Property Profile of Diethyl 5,5'-methylenedianthranilate
Property Insights of Diethyl 5,5'-methylenedianthranilate
The XLogP value of 4.0 indicates that Diethyl 5,5'-methylenedianthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5,5'-methylenedianthranilate. Following Lipinski's Rule of Five, Diethyl 5,5'-methylenedianthranilate has 2 hydrogen bond donor(s) and 6 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 Diethyl 5,5'-methylenedianthranilate?
The CAS number of Diethyl 5,5'-methylenedianthranilate is 15403-44-8.
What is the molecular formula of Diethyl 5,5'-methylenedianthranilate?
The molecular formula of Diethyl 5,5'-methylenedianthranilate is C19H22N2O4.
What is the molecular weight of Diethyl 5,5'-methylenedianthranilate?
The molecular weight of Diethyl 5,5'-methylenedianthranilate is 342.16 g/mol.
Where can I buy Diethyl 5,5'-methylenedianthranilate?
You can request a quote for Diethyl 5,5'-methylenedianthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5,5'-methylenedianthranilate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5'-methylenedianthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.