Isobutyl N-methylanthranilate
TL;DR: Isobutyl N-methylanthranilate (CAS 65505-24-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(methylamino)benzoate
Also Known As: Isobutyl 2-(methylamino)benzoate, Isobutyl N-methylanthranilate, 2-Methylpropyl 2-(methylamino)benzoate, isobutyl methyl anthranilate, Isobutyl 2-N-methylaminobenzoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 65505-24-0 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1NC |
| InChIKey | WKYZGTHZBSYUFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl N-methylanthranilate (CAS 65505-24-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-methylpropyl 2-(methylamino)benzoate.
Chemical Property Profile of Isobutyl N-methylanthranilate
Property Insights of Isobutyl N-methylanthranilate
The XLogP value of 3.6 indicates that Isobutyl N-methylanthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Isobutyl N-methylanthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl N-methylanthranilate 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 Isobutyl N-methylanthranilate?
The CAS number of Isobutyl N-methylanthranilate is 65505-24-0.
What is the molecular formula of Isobutyl N-methylanthranilate?
The molecular formula of Isobutyl N-methylanthranilate is C12H17NO2.
What is the molecular weight of Isobutyl N-methylanthranilate?
The molecular weight of Isobutyl N-methylanthranilate is 207.13 g/mol.
Where can I buy Isobutyl N-methylanthranilate?
You can request a quote for Isobutyl N-methylanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl N-methylanthranilate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl N-methylanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.