6-Aminophthalide
TL;DR: 6-Aminophthalide (CAS 57319-65-0) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3H-2-benzofuran-1-one
Also Known As: 6-Aminophthalide, 6-aminoisobenzofuran-1(3H)-one, 6-Aminophthalid, 6-Amino-2-benzofuran-1(3H)-one, 6-Amino-1,3-dihydroisobenzofuran-1-one
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 57319-65-0 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)N)C(=O)O1 |
| InChIKey | ZIJZDNKZJZUROE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Aminophthalide (CAS 57319-65-0), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 6-amino-3H-2-benzofuran-1-one.
Chemical Property Profile of 6-Aminophthalide
Property Insights of 6-Aminophthalide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Aminophthalide. With a topological polar surface area (TPSA) of 52.3 Ų, 6-Aminophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Aminophthalide 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 6-Aminophthalide?
The CAS number of 6-Aminophthalide is 57319-65-0.
What is the molecular formula of 6-Aminophthalide?
The molecular formula of 6-Aminophthalide is C8H7NO2.
What is the molecular weight of 6-Aminophthalide?
The molecular weight of 6-Aminophthalide is 149.05 g/mol.
Where can I buy 6-Aminophthalide?
You can request a quote for 6-Aminophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Aminophthalide?
Yes, KEHONG BIO provides custom synthesis services for 6-Aminophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.