5-Iodo-6-amino-1,2-benzopyrone
TL;DR: 5-Iodo-6-amino-1,2-benzopyrone (CAS 137881-27-7) is a chemical compound with molecular formula C9H6INO2 and molecular weight 286.94434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-5-iodochromen-2-one
Also Known As: 5-Iodo-6-amino-1,2-benzopyrone, INH2BP, 5-Iabp, 6-amino-5-iodo-2H-chromen-2-one, 4pns
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6INO2 |
| Molecular Weight | 286.94434 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.94434 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | C1=CC(=O)OC2=C1C(=C(C=C2)N)I |
| InChIKey | WWRAFPGUBABZSD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Iodo-6-amino-1,2-benzopyrone
Property Insights of 5-Iodo-6-amino-1,2-benzopyrone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-6-amino-1,2-benzopyrone. With a topological polar surface area (TPSA) of 52.3 Ų, 5-Iodo-6-amino-1,2-benzopyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodo-6-amino-1,2-benzopyrone 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 5-Iodo-6-amino-1,2-benzopyrone?
The CAS number of 5-Iodo-6-amino-1,2-benzopyrone is 137881-27-7.
What is the molecular formula of 5-Iodo-6-amino-1,2-benzopyrone?
The molecular formula of 5-Iodo-6-amino-1,2-benzopyrone is C9H6INO2.
What is the molecular weight of 5-Iodo-6-amino-1,2-benzopyrone?
The molecular weight of 5-Iodo-6-amino-1,2-benzopyrone is 286.94434 g/mol.
Where can I buy 5-Iodo-6-amino-1,2-benzopyrone?
You can request a quote for 5-Iodo-6-amino-1,2-benzopyrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Iodo-6-amino-1,2-benzopyrone?
Yes, CoreyChem provides custom synthesis services for 5-Iodo-6-amino-1,2-benzopyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.