Methyl 2-amino-3,4-methylenedioxybenzoate
TL;DR: Methyl 2-amino-3,4-methylenedioxybenzoate (CAS 7112-80-3) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-1,3-benzodioxole-5-carboxylate
Also Known As: Methyl 2-amino-3,4-methylenedioxybenzoate, Methyl 4-amino-1,3-benzodioxole-5-carboxylate, 4-Aminobenzodioxole-5-carboxylic acid methyl ester, Methyl 4-amino-1,3-benzodioxole-5-carboxylate #, Methyl 4-aminobenzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 7112-80-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=C1)OCO2)N |
| InChIKey | QHSZGIDTRSYYKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-3,4-methylenedioxybenzoate (CAS 7112-80-3), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: methyl 4-amino-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Methyl 2-amino-3,4-methylenedioxybenzoate
Property Insights of Methyl 2-amino-3,4-methylenedioxybenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3,4-methylenedioxybenzoate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3,4-methylenedioxybenzoate. Following Lipinski's Rule of Five, Methyl 2-amino-3,4-methylenedioxybenzoate 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 Methyl 2-amino-3,4-methylenedioxybenzoate?
The CAS number of Methyl 2-amino-3,4-methylenedioxybenzoate is 7112-80-3.
What is the molecular formula of Methyl 2-amino-3,4-methylenedioxybenzoate?
The molecular formula of Methyl 2-amino-3,4-methylenedioxybenzoate is C9H9NO4.
What is the molecular weight of Methyl 2-amino-3,4-methylenedioxybenzoate?
The molecular weight of Methyl 2-amino-3,4-methylenedioxybenzoate is 195.05 g/mol.
Where can I buy Methyl 2-amino-3,4-methylenedioxybenzoate?
You can request a quote for Methyl 2-amino-3,4-methylenedioxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3,4-methylenedioxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3,4-methylenedioxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.