2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
TL;DR: 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester (CAS 96468-81-4) is a chemical compound with molecular formula C30H29NO2 and molecular weight 435.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(dibenzylamino)-3-phenylpropanoate
Also Known As: Benzyl 2-(dibenzylamino)-3-phenylpropanoate, l-n,n-dibenzylphenylalanine benzyl ester, Benzyl N,N-dibenzyl-L-phenylalaninate, N-dibenzyl l-phenylalanine benzyl ester, NCI60_019232
| Molecular Formula | C30H29NO2 |
|---|---|
| Molecular Weight | 435.22 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 435.21982 |
| Heavy Atoms | 33 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 96468-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | XOAGXYJGAZOTAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Dibenzylamino-3-phenyl-propionic acid benzyl ester (CAS 96468-81-4), with molecular formula C30H29NO2 and molecular weight 435.22 g/mol. IUPAC: benzyl 2-(dibenzylamino)-3-phenylpropanoate.
Chemical Property Profile of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
Property Insights of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
The XLogP value of 6.7 indicates that 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester?
The CAS number of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester is 96468-81-4.
What is the molecular formula of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester?
The molecular formula of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester is C30H29NO2.
What is the molecular weight of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester?
The molecular weight of 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester is 435.22 g/mol.
Where can I buy 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester?
You can request a quote for 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.