Ethyl 4-(3-aminopropyl)benzoate
TL;DR: Ethyl 4-(3-aminopropyl)benzoate (CAS 112104-15-1) 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.
ethyl 4-(3-aminopropyl)benzoate
Also Known As: ethyl 4-(3-aminopropyl)benzoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 112104-15-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CCCN |
| InChIKey | BWPKYSTVHYGJAU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-aminopropyl)benzoate (CAS 112104-15-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 4-(3-aminopropyl)benzoate.
Chemical Property Profile of Ethyl 4-(3-aminopropyl)benzoate
Property Insights of Ethyl 4-(3-aminopropyl)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-aminopropyl)benzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-(3-aminopropyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-aminopropyl)benzoate 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 Ethyl 4-(3-aminopropyl)benzoate?
The CAS number of Ethyl 4-(3-aminopropyl)benzoate is 112104-15-1.
What is the molecular formula of Ethyl 4-(3-aminopropyl)benzoate?
The molecular formula of Ethyl 4-(3-aminopropyl)benzoate is C12H17NO2.
What is the molecular weight of Ethyl 4-(3-aminopropyl)benzoate?
The molecular weight of Ethyl 4-(3-aminopropyl)benzoate is 207.13 g/mol.
Where can I buy Ethyl 4-(3-aminopropyl)benzoate?
You can request a quote for Ethyl 4-(3-aminopropyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-aminopropyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-aminopropyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.