Isopentyl 4-aminobenzoate
TL;DR: Isopentyl 4-aminobenzoate (CAS 4660-99-5) 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 4-aminobenzoate
Also Known As: Isopentyl 4-aminobenzoate, 3-methylbutyl 4-aminobenzoate, Isoamyl-4-aminobenzoat, isopentyl4-aminobenzoate, EINECS 253-789-0
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.2 |
| 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 | 196.0 |
Chemical Identifiers
| CAS Number | 4660-99-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | DVPONJRILZFUGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl 4-aminobenzoate (CAS 4660-99-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 3-methylbutyl 4-aminobenzoate.
Chemical Property Profile of Isopentyl 4-aminobenzoate
Property Insights of Isopentyl 4-aminobenzoate
The XLogP value of 3.2 indicates that Isopentyl 4-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, Isopentyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 4-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 Isopentyl 4-aminobenzoate?
The CAS number of Isopentyl 4-aminobenzoate is 4660-99-5.
What is the molecular formula of Isopentyl 4-aminobenzoate?
The molecular formula of Isopentyl 4-aminobenzoate is C12H17NO2.
What is the molecular weight of Isopentyl 4-aminobenzoate?
The molecular weight of Isopentyl 4-aminobenzoate is 207.13 g/mol.
Where can I buy Isopentyl 4-aminobenzoate?
You can request a quote for Isopentyl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.