3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one
TL;DR: 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 91134-22-4) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-Aminomethyl-6,7-dimethoxy-phthalid, 3-aminomethyl-6,7-dimethoxy-phthalide, 3-(aminomethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-(aminomethyl)-6,7-dimethoxy-3H-isobenzofuran-1-one
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.874 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 430.23788 |
Chemical Identifiers
| CAS Number | 91134-22-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)CN)OC |
Product Overview
3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 91134-22-4), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 3-(aminomethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one
Property Insights of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one
The XLogP value of 0.874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one 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 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The CAS number of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one is 91134-22-4.
What is the molecular formula of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular formula of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one is C11H13NO4.
What is the molecular weight of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular weight of 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one is 223.08 g/mol.
Where can I buy 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one?
You can request a quote for 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(aminomethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.