Propan-2-yl 4-aminobenzoate
TL;DR: Propan-2-yl 4-aminobenzoate (CAS 18144-43-9) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4-aminobenzoate
Also Known As: isopropyl 4-aminobenzoate, propan-2-yl 4-aminobenzoate, 4-Amino-benzoic acid isopropyl ester, Isopropyl p-aminobenzoate, Agomelatine Impurity 30
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)N |
| InChIKey | JWCPZKNBPMSYND-UHFFFAOYSA-N |
Chemical Property Profile of Propan-2-yl 4-aminobenzoate
Property Insights of Propan-2-yl 4-aminobenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 4-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Propan-2-yl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 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
What is the CAS number of Propan-2-yl 4-aminobenzoate?
The CAS number of Propan-2-yl 4-aminobenzoate is 18144-43-9.
What is the molecular formula of Propan-2-yl 4-aminobenzoate?
The molecular formula of Propan-2-yl 4-aminobenzoate is C10H13NO2.
What is the molecular weight of Propan-2-yl 4-aminobenzoate?
The molecular weight of Propan-2-yl 4-aminobenzoate is 179.09464 g/mol.
Where can I buy Propan-2-yl 4-aminobenzoate?
You can request a quote for Propan-2-yl 4-aminobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propan-2-yl 4-aminobenzoate?
Yes, CoreyChem provides custom synthesis services for Propan-2-yl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.