3-Methylbutyl 2-aminobenzoate
TL;DR: 3-Methylbutyl 2-aminobenzoate (CAS 28457-05-8) 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.
3-methylbutyl 2-aminobenzoate
Also Known As: 3-methylbutyl 2-aminobenzoate, isoamyl anthranilate, 3-methylbutyl anthranilate, ISOPENTYL 2-AMINOBENZOATE, 2-Amino-benzoesaeure-isoamylester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.3 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 | 28457-05-8 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1N |
| InChIKey | YXMRIWCMMGEYBH-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 2-aminobenzoate (CAS 28457-05-8), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 3-methylbutyl 2-aminobenzoate.
Chemical Property Profile of 3-Methylbutyl 2-aminobenzoate
Property Insights of 3-Methylbutyl 2-aminobenzoate
The XLogP value of 3.9 indicates that 3-Methylbutyl 2-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 3-Methylbutyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 2-aminobenzoate 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 3-Methylbutyl 2-aminobenzoate?
The CAS number of 3-Methylbutyl 2-aminobenzoate is 28457-05-8.
What is the molecular formula of 3-Methylbutyl 2-aminobenzoate?
The molecular formula of 3-Methylbutyl 2-aminobenzoate is C12H17NO2.
What is the molecular weight of 3-Methylbutyl 2-aminobenzoate?
The molecular weight of 3-Methylbutyl 2-aminobenzoate is 207.13 g/mol.
Where can I buy 3-Methylbutyl 2-aminobenzoate?
You can request a quote for 3-Methylbutyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.