sec-Butyl o-aminobenzoate
TL;DR: sec-Butyl o-aminobenzoate (CAS 56298-93-2) 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.
butan-2-yl 2-aminobenzoate
Also Known As: sec-Butyl o-aminobenzoate, butan-2-yl 2-aminobenzoate, butan-2-yl2-aminobenzoate, Sec-butyl 2-aminobenzoate #, Benzoic acid, 1-methylpropyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 56298-93-2 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=CC=CC=C1N |
| InChIKey | LIXUXGBVCKMOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sec-Butyl o-aminobenzoate (CAS 56298-93-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: butan-2-yl 2-aminobenzoate.
Chemical Property Profile of sec-Butyl o-aminobenzoate
Property Insights of sec-Butyl o-aminobenzoate
The XLogP value of 3.2 indicates that sec-Butyl o-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, sec-Butyl o-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl o-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 sec-Butyl o-aminobenzoate?
The CAS number of sec-Butyl o-aminobenzoate is 56298-93-2.
What is the molecular formula of sec-Butyl o-aminobenzoate?
The molecular formula of sec-Butyl o-aminobenzoate is C11H15NO2.
What is the molecular weight of sec-Butyl o-aminobenzoate?
The molecular weight of sec-Butyl o-aminobenzoate is 193.11 g/mol.
Where can I buy sec-Butyl o-aminobenzoate?
You can request a quote for sec-Butyl o-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl o-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl o-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.