对氨基苯甲酸丁酯
TL;DR: 对氨基苯甲酸丁酯 (CAS 94-25-7) 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.
对氨基苯甲酸丁酯
butyl 4-aminobenzoate
Also Known As: butamben, Butyl 4-aminobenzoate, Butesin, Butoform, Butylcaine
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| Melting Point | 57.8 °C |
| Boiling Point | 343 to 173.9 °C at 8 mmHg |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.000299 [mmHg] |
Chemical Identifiers
| CAS Number | 94-25-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | IUWVALYLNVXWKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对氨基苯甲酸丁酯 (CAS 94-25-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: butyl 4-aminobenzoate.
Chemical Property Profile of 对氨基苯甲酸丁酯
Property Insights of 对氨基苯甲酸丁酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对氨基苯甲酸丁酯. With a topological polar surface area (TPSA) of 52.3 Ų, 对氨基苯甲酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氨基苯甲酸丁酯 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 对氨基苯甲酸丁酯?
The CAS number of 对氨基苯甲酸丁酯 is 94-25-7.
What is the molecular formula of 对氨基苯甲酸丁酯?
The molecular formula of 对氨基苯甲酸丁酯 is C11H15NO2.
What is the molecular weight of 对氨基苯甲酸丁酯?
The molecular weight of 对氨基苯甲酸丁酯 is 193.11 g/mol.
Where can I buy 对氨基苯甲酸丁酯?
You can request a quote for 对氨基苯甲酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氨基苯甲酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 对氨基苯甲酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.