Isopropyl 3-amino-4-methylbenzoate
TL;DR: Isopropyl 3-amino-4-methylbenzoate (CAS 21447-47-2) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-amino-4-methylbenzoate
Also Known As: Isopropyl 3-amino-4-methylbenzoate, zlchem 1070, propan-2-yl 3-amino-4-methylbenzoate, ISOPROPYL 3-AMINO-4-METHYL BENZOATE, 1-Methylethyl 3-amino-4-methylbenzoate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 21447-47-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC(C)C)N |
| InChIKey | NQIWSFLRVNIRJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-amino-4-methylbenzoate (CAS 21447-47-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: propan-2-yl 3-amino-4-methylbenzoate.
Chemical Property Profile of Isopropyl 3-amino-4-methylbenzoate
Property Insights of Isopropyl 3-amino-4-methylbenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-amino-4-methylbenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Isopropyl 3-amino-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-amino-4-methylbenzoate has 1 hydrogen bond donor(s) and 3 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 Isopropyl 3-amino-4-methylbenzoate?
The CAS number of Isopropyl 3-amino-4-methylbenzoate is 21447-47-2.
What is the molecular formula of Isopropyl 3-amino-4-methylbenzoate?
The molecular formula of Isopropyl 3-amino-4-methylbenzoate is C11H15NO2.
What is the molecular weight of Isopropyl 3-amino-4-methylbenzoate?
The molecular weight of Isopropyl 3-amino-4-methylbenzoate is 193.11 g/mol.
Where can I buy Isopropyl 3-amino-4-methylbenzoate?
You can request a quote for Isopropyl 3-amino-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-amino-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-amino-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.