3-Amino-4-(phenethylamino)coumarin
TL;DR: 3-Amino-4-(phenethylamino)coumarin (CAS 313239-75-7) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(2-phenylethylamino)chromen-2-one
Also Known As: 3-amino-4-(phenethylamino)coumarin, BAS 01052318, 3-Amino-4-phenethylamino-chromen-2-one, 3-amino-4-(2-phenylethylamino)chromen-2-one, 3-amino-4-(phenethylamino)chromen-2-one
| Molecular Formula | C17H16N2O2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.1212 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 313239-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=C(C(=O)OC3=CC=CC=C32)N |
| InChIKey | RCDGIBAZGMGOCN-UHFFFAOYSA-N |
Product Overview
3-Amino-4-(phenethylamino)coumarin (CAS 313239-75-7), with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol. IUPAC: 3-amino-4-(2-phenylethylamino)chromen-2-one.
Chemical Property Profile of 3-Amino-4-(phenethylamino)coumarin
Property Insights of 3-Amino-4-(phenethylamino)coumarin
The XLogP value of 3.1 indicates that 3-Amino-4-(phenethylamino)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(phenethylamino)coumarin. Following Lipinski's Rule of Five, 3-Amino-4-(phenethylamino)coumarin has 2 hydrogen bond donor(s) and 4 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-Amino-4-(phenethylamino)coumarin?
The CAS number of 3-Amino-4-(phenethylamino)coumarin is 313239-75-7.
What is the molecular formula of 3-Amino-4-(phenethylamino)coumarin?
The molecular formula of 3-Amino-4-(phenethylamino)coumarin is C17H16N2O2.
What is the molecular weight of 3-Amino-4-(phenethylamino)coumarin?
The molecular weight of 3-Amino-4-(phenethylamino)coumarin is 280.12 g/mol.
Where can I buy 3-Amino-4-(phenethylamino)coumarin?
You can request a quote for 3-Amino-4-(phenethylamino)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(phenethylamino)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(phenethylamino)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.