3-(Benzylamino)-3-phenylpropanoic acid
TL;DR: 3-(Benzylamino)-3-phenylpropanoic acid (CAS 5678-50-2) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-3-phenylpropanoic acid
Also Known As: 3-(benzylamino)-3-phenylpropanoic acid, ChemDiv3_004758, beta-(Benzylamino)benzenepropanoic acid, IDI1_022668, BRD-A98880693-001-01-5
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.9922 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 510.78683 |
Chemical Identifiers
| CAS Number | 5678-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=CC=C2 |
Product Overview
3-(Benzylamino)-3-phenylpropanoic acid (CAS 5678-50-2), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 3-(benzylamino)-3-phenylpropanoic acid.
Chemical Property Profile of 3-(Benzylamino)-3-phenylpropanoic acid
Property Insights of 3-(Benzylamino)-3-phenylpropanoic acid
The XLogP value of 2.9922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-3-phenylpropanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(Benzylamino)-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-3-phenylpropanoic acid has 2 hydrogen bond donor(s) and 2 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 3-(Benzylamino)-3-phenylpropanoic acid?
The CAS number of 3-(Benzylamino)-3-phenylpropanoic acid is 5678-50-2.
What is the molecular formula of 3-(Benzylamino)-3-phenylpropanoic acid?
The molecular formula of 3-(Benzylamino)-3-phenylpropanoic acid is C16H17NO2.
What is the molecular weight of 3-(Benzylamino)-3-phenylpropanoic acid?
The molecular weight of 3-(Benzylamino)-3-phenylpropanoic acid is 255.13 g/mol.
Where can I buy 3-(Benzylamino)-3-phenylpropanoic acid?
You can request a quote for 3-(Benzylamino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.