1-Methylethyl 4-aminobenzenebutanoate
TL;DR: 1-Methylethyl 4-aminobenzenebutanoate (CAS 94086-77-8) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-aminophenyl)butanoate
Also Known As: Isopropyl 4-(4-aminophenyl)butyrate, EINECS 301-867-0, 1-Methylethyl 4-aminobenzenebutanoate, propan-2-yl 4-(4-aminophenyl)butanoate, 4-Aminobenzenebutanoic acid 1-methylethyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.5431 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 330.29077 |
Chemical Identifiers
| CAS Number | 94086-77-8 |
|---|---|
| SMILES | CC(C)OC(=O)CCCC1=CC=C(C=C1)N |
Product Overview
1-Methylethyl 4-aminobenzenebutanoate (CAS 94086-77-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: propan-2-yl 4-(4-aminophenyl)butanoate.
Chemical Property Profile of 1-Methylethyl 4-aminobenzenebutanoate
Property Insights of 1-Methylethyl 4-aminobenzenebutanoate
The XLogP value of 2.5431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 4-aminobenzenebutanoate. With a topological polar surface area (TPSA) of 52.32 Ų, 1-Methylethyl 4-aminobenzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl 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
Frequently Asked Questions
What is the CAS number of 1-Methylethyl 4-aminobenzenebutanoate?
The CAS number of 1-Methylethyl 4-aminobenzenebutanoate is 94086-77-8.
What is the molecular formula of 1-Methylethyl 4-aminobenzenebutanoate?
The molecular formula of 1-Methylethyl 4-aminobenzenebutanoate is C13H19NO2.
What is the molecular weight of 1-Methylethyl 4-aminobenzenebutanoate?
The molecular weight of 1-Methylethyl 4-aminobenzenebutanoate is 221.14 g/mol.
Where can I buy 1-Methylethyl 4-aminobenzenebutanoate?
You can request a quote for 1-Methylethyl 4-aminobenzenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 4-aminobenzenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4-aminobenzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.