3-(Dibenzylamino)propanoic acid
TL;DR: 3-(Dibenzylamino)propanoic acid (CAS 19812-58-9) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dibenzylamino)propanoic acid
Also Known As: 3-(dibenzylamino)propanoic acid, N,N-Dibenzyl-beta-alanine, N,N-Bis(phenylmethyl)-beta-alanine, J2.730.514H, A1-04983
| Molecular Formula | C17H19NO2 |
|---|---|
| Molecular Weight | 269.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.14157 |
| Heavy Atoms | 20 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 19812-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=CC=C2 |
| InChIKey | FJPCUHVZSZCDJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dibenzylamino)propanoic acid (CAS 19812-58-9), with molecular formula C17H19NO2 and molecular weight 269.14 g/mol. IUPAC: 3-(dibenzylamino)propanoic acid.
Chemical Property Profile of 3-(Dibenzylamino)propanoic acid
Property Insights of 3-(Dibenzylamino)propanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dibenzylamino)propanoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Dibenzylamino)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dibenzylamino)propanoic acid 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 3-(Dibenzylamino)propanoic acid?
The CAS number of 3-(Dibenzylamino)propanoic acid is 19812-58-9.
What is the molecular formula of 3-(Dibenzylamino)propanoic acid?
The molecular formula of 3-(Dibenzylamino)propanoic acid is C17H19NO2.
What is the molecular weight of 3-(Dibenzylamino)propanoic acid?
The molecular weight of 3-(Dibenzylamino)propanoic acid is 269.14 g/mol.
Where can I buy 3-(Dibenzylamino)propanoic acid?
You can request a quote for 3-(Dibenzylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dibenzylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dibenzylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.