1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)
TL;DR: 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) (CAS 31383-81-0) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-5-[(4-amino-3-methoxycarbonylphenyl)methyl]benzoate
Also Known As: Dimethyl 5,5'-methylenedianthranilate, Methylene bis(methylanthranilate), 4,4'-Methylenebis(2-carbomethoxyaniline), Dimethyl 5,5//'-methylenedianthranilate, Dimethyl 5,5/'-methylenedianthranilate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 31383-81-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC)N |
| InChIKey | XEZPSTVEIZNGRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) (CAS 31383-81-0), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: methyl 2-amino-5-[(4-amino-3-methoxycarbonylphenyl)methyl]benzoate.
Chemical Property Profile of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)
Property Insights of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)
The XLogP value of 3.3 indicates that 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) 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 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate). Following Lipinski's Rule of Five, 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) 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 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)?
The CAS number of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) is 31383-81-0.
What is the molecular formula of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)?
The molecular formula of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) is C17H18N2O4.
What is the molecular weight of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)?
The molecular weight of 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) is 314.13 g/mol.
Where can I buy 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)?
You can request a quote for 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dimethyl 3,3'-methylenebis(6-aminobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.