4-Aminocoumarin
TL;DR: 4-Aminocoumarin (CAS 5346-46-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminochromen-2-one
Also Known As: 4-Aminocoumarin, 4-Amino-chromen-2-one, 4-amino-2H-chromen-2-one, 4-aminochromen-2-one, Coumarin, 4-amino-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.3752 |
| Topological Polar Surface Area | 56.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 473.15738 |
Chemical Identifiers
| CAS Number | 5346-46-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)N |
Product Overview
4-Aminocoumarin (CAS 5346-46-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 4-aminochromen-2-one.
Chemical Property Profile of 4-Aminocoumarin
Property Insights of 4-Aminocoumarin
The XLogP value of 1.3752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminocoumarin. With a topological polar surface area (TPSA) of 56.23 Ų, 4-Aminocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aminocoumarin 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 4-Aminocoumarin?
The CAS number of 4-Aminocoumarin is 5346-46-3.
What is the molecular formula of 4-Aminocoumarin?
The molecular formula of 4-Aminocoumarin is C9H7NO2.
What is the molecular weight of 4-Aminocoumarin?
The molecular weight of 4-Aminocoumarin is 161.05 g/mol.
Where can I buy 4-Aminocoumarin?
You can request a quote for 4-Aminocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.