3-Aminochroman-2-one
TL;DR: 3-Aminochroman-2-one (CAS 152580-32-0) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3,4-dihydrochromen-2-one
Also Known As: 3-aminochroman-2-one, aminochromanone, 3-amino-3,4-dihydrochromen-2-one, 3-amino-3,4-dihydro-2H-1-benzopyran-2-one, 3-Amino-2-chromanone hydrochloride
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | C1C(C(=O)OC2=CC=CC=C21)N |
| InChIKey | ZRXZRRDYAAJOFH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Aminochroman-2-one
Property Insights of 3-Aminochroman-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminochroman-2-one. With a topological polar surface area (TPSA) of 52.3 Ų, 3-Aminochroman-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminochroman-2-one 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-Aminochroman-2-one?
The CAS number of 3-Aminochroman-2-one is 152580-32-0.
What is the molecular formula of 3-Aminochroman-2-one?
The molecular formula of 3-Aminochroman-2-one is C9H9NO2.
What is the molecular weight of 3-Aminochroman-2-one?
The molecular weight of 3-Aminochroman-2-one is 163.06332 g/mol.
Where can I buy 3-Aminochroman-2-one?
You can request a quote for 3-Aminochroman-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Aminochroman-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Aminochroman-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.