Methyl 6-amino-2,3,4-trimethoxybenzoate
TL;DR: Methyl 6-amino-2,3,4-trimethoxybenzoate (CAS 1968-72-5) is a chemical compound with molecular formula C11H15NO5 and molecular weight 241.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-2,3,4-trimethoxybenzoate
Also Known As: Methyl 6-amino-2,3,4-trimethoxybenzoate, Methyl6-amino-2,3,4-trimethoxybenzoate, methyl 6-amino-2,3,4-trimethoxy-benzoate, Methyl 6-amino-2,3,4-trimethoxybenzoate #, Methyl benzoate, 6-amino-2,3,4-trimethoxy-
| Molecular Formula | C11H15NO5 |
|---|---|
| Molecular Weight | 241.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.09502 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 1968-72-5 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)N)C(=O)OC)OC)OC |
| InChIKey | RMNSHLCXEJWRHQ-UHFFFAOYSA-N |
Product Overview
Methyl 6-amino-2,3,4-trimethoxybenzoate (CAS 1968-72-5), with molecular formula C11H15NO5 and molecular weight 241.10 g/mol. IUPAC: methyl 6-amino-2,3,4-trimethoxybenzoate.
Chemical Property Profile of Methyl 6-amino-2,3,4-trimethoxybenzoate
Property Insights of Methyl 6-amino-2,3,4-trimethoxybenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-amino-2,3,4-trimethoxybenzoate. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-amino-2,3,4-trimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 6-amino-2,3,4-trimethoxybenzoate has 1 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 Methyl 6-amino-2,3,4-trimethoxybenzoate?
The CAS number of Methyl 6-amino-2,3,4-trimethoxybenzoate is 1968-72-5.
What is the molecular formula of Methyl 6-amino-2,3,4-trimethoxybenzoate?
The molecular formula of Methyl 6-amino-2,3,4-trimethoxybenzoate is C11H15NO5.
What is the molecular weight of Methyl 6-amino-2,3,4-trimethoxybenzoate?
The molecular weight of Methyl 6-amino-2,3,4-trimethoxybenzoate is 241.10 g/mol.
Where can I buy Methyl 6-amino-2,3,4-trimethoxybenzoate?
You can request a quote for Methyl 6-amino-2,3,4-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-amino-2,3,4-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-amino-2,3,4-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.