3-Aminocoumarin
TL;DR: 3-Aminocoumarin (CAS 1635-31-0) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminochromen-2-one
Also Known As: 3-Aminocoumarin, 3-amino-2H-chromen-2-one, 3-aminochromen-2-one, aminocoumarin, coumarin amine
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.04768 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 Da |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)N |
| InChIKey | QWZHDKGQKYEBKK-UHFFFAOYSA-N |
Product Description
Applications: 3-Aminocoumarin is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Aminocoumarin is a biotechnology compound identified by CAS number 1635-31-0 and the molecular formula C9H7NO2 and a molecular weight of 161.05 g/mol. Synonyms include 3-Aminocoumarin and 3-amino-2H-chromen-2-one.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Aminocoumarin
Property Insights of 3-Aminocoumarin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminocoumarin. With a topological polar surface area (TPSA) of 52.3 Ų, 3-Aminocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
What is the CAS number of 3-Aminocoumarin?
The CAS number of 3-Aminocoumarin is 1635-31-0.
What is the molecular formula of 3-Aminocoumarin?
The molecular formula of 3-Aminocoumarin is C9H7NO2.
What is the molecular weight of 3-Aminocoumarin?
The molecular weight of 3-Aminocoumarin is 161.04768 g/mol.
What are the applications of 3-Aminocoumarin?
3-Aminocoumarin is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Aminocoumarin?
You can request a quote for 3-Aminocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Aminocoumarin?
Yes, CoreyChem provides custom synthesis services for 3-Aminocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.