Propyl beta-aminobenzenepropanoate
TL;DR: Propyl beta-aminobenzenepropanoate (CAS 622830-41-5) 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.
propyl 3-amino-3-phenylpropanoate
Also Known As: propyl 3-amino-3-phenylpropanoate, n-propyl 3-amino-3-phenylpropionate, Propyl beta-aminobenzenepropanoate, propyl-3-amino-3-phenylpropanoate, Propyl I(2)-aminobenzenepropanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.0297 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 297.75024 |
Chemical Identifiers
| CAS Number | 622830-41-5 |
|---|---|
| SMILES | CCCOC(=O)CC(C1=CC=CC=C1)N |
Product Overview
Propyl beta-aminobenzenepropanoate (CAS 622830-41-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: propyl 3-amino-3-phenylpropanoate.
Chemical Property Profile of Propyl beta-aminobenzenepropanoate
Property Insights of Propyl beta-aminobenzenepropanoate
The XLogP value of 2.0297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl beta-aminobenzenepropanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Propyl beta-aminobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl beta-aminobenzenepropanoate 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 Propyl beta-aminobenzenepropanoate?
The CAS number of Propyl beta-aminobenzenepropanoate is 622830-41-5.
What is the molecular formula of Propyl beta-aminobenzenepropanoate?
The molecular formula of Propyl beta-aminobenzenepropanoate is C12H17NO2.
What is the molecular weight of Propyl beta-aminobenzenepropanoate?
The molecular weight of Propyl beta-aminobenzenepropanoate is 207.13 g/mol.
Where can I buy Propyl beta-aminobenzenepropanoate?
You can request a quote for Propyl beta-aminobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl beta-aminobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl beta-aminobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.