Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
TL;DR: Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester (CAS 71215-92-4) is a chemical compound with molecular formula C22H21NO2 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(N-phenylanilino)phenyl]propanoate
Also Known As: Methyl 4-(diphenylamino)hydrocinnamate, 4- benzenepropanoicacidmethylester, Methyl 3-(4-(N,N-diphenylamino)phenyl)propionate, methyl 3-[4-(diphenylamino)phenyl]propanoate, Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
| Molecular Formula | C22H21NO2 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.15723 |
| Heavy Atoms | 25 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 71215-92-4 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | WHZLMSDQPQRIHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester (CAS 71215-92-4), with molecular formula C22H21NO2 and molecular weight 331.16 g/mol. IUPAC: methyl 3-[4-(N-phenylanilino)phenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
Property Insights of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester
The XLogP value of 5.6 indicates that Benzenepropanoic acid, 4-(diphenylamino)-, methyl 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, Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-(diphenylamino)-, methyl 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 Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester?
The CAS number of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester is 71215-92-4.
What is the molecular formula of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester?
The molecular formula of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester is C22H21NO2.
What is the molecular weight of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester?
The molecular weight of Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester is 331.16 g/mol.
Where can I buy Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester?
You can request a quote for Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-(diphenylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.