Methyl 4-aminobenzenebutanoate
TL;DR: Methyl 4-aminobenzenebutanoate (CAS 20637-09-6) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4-aminophenyl)butanoate
Also Known As: Methyl 4-(4-aminophenyl)butanoate, Methyl 4-(4-aminophenyl)butyrate, Benzenebutanoic acid, 4-amino-, methyl ester, Methyl 4-aminobenzenebutanoate, 4-(4-aminophenyl)butyrate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| SMILES | COC(=O)CCCC1=CC=C(C=C1)N |
| InChIKey | CLKHQWJXESOLCJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-aminobenzenebutanoate
Property Insights of Methyl 4-aminobenzenebutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-aminobenzenebutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-aminobenzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-aminobenzenebutanoate 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 Methyl 4-aminobenzenebutanoate?
The CAS number of Methyl 4-aminobenzenebutanoate is 20637-09-6.
What is the molecular formula of Methyl 4-aminobenzenebutanoate?
The molecular formula of Methyl 4-aminobenzenebutanoate is C11H15NO2.
What is the molecular weight of Methyl 4-aminobenzenebutanoate?
The molecular weight of Methyl 4-aminobenzenebutanoate is 193.11028 g/mol.
Where can I buy Methyl 4-aminobenzenebutanoate?
You can request a quote for Methyl 4-aminobenzenebutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-aminobenzenebutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-aminobenzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.