4-Benzylamino-3-phenylcumarin
TL;DR: 4-Benzylamino-3-phenylcumarin (CAS 83609-85-2) is a chemical compound with molecular formula C22H17NO2 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)-3-phenylchromen-2-one
Also Known As: 4-Benzylamino-3-phenylcumarin, 4-benzylamino-3-phenyl-chromen-2-one, 4-(benzylamino)-3-phenylchromen-2-one, 4-(benzylamino)-3-phenyl-chromen-2-one
| Molecular Formula | C22H17NO2 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 5.0721 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12592 |
| Heavy Atoms | 25 |
| Complexity | 1053.5594 |
Chemical Identifiers
| CAS Number | 83609-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
4-Benzylamino-3-phenylcumarin (CAS 83609-85-2), with molecular formula C22H17NO2 and molecular weight 327.13 g/mol. IUPAC: 4-(benzylamino)-3-phenylchromen-2-one.
Chemical Property Profile of 4-Benzylamino-3-phenylcumarin
Property Insights of 4-Benzylamino-3-phenylcumarin
The XLogP value of 5.0721 indicates that 4-Benzylamino-3-phenylcumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.24 Ų, 4-Benzylamino-3-phenylcumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylamino-3-phenylcumarin has 1 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 4-Benzylamino-3-phenylcumarin?
The CAS number of 4-Benzylamino-3-phenylcumarin is 83609-85-2.
What is the molecular formula of 4-Benzylamino-3-phenylcumarin?
The molecular formula of 4-Benzylamino-3-phenylcumarin is C22H17NO2.
What is the molecular weight of 4-Benzylamino-3-phenylcumarin?
The molecular weight of 4-Benzylamino-3-phenylcumarin is 327.13 g/mol.
Where can I buy 4-Benzylamino-3-phenylcumarin?
You can request a quote for 4-Benzylamino-3-phenylcumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylamino-3-phenylcumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylamino-3-phenylcumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.