6,7-diamino-3H-2-benzofuran-1-one
TL;DR: 6,7-diamino-3H-2-benzofuran-1-one (CAS 146767-11-5) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-diamino-3H-2-benzofuran-1-one
Also Known As: 6,7-diamino-1(3h)-isobenzofuranone, 6,7-diamino-3H-isobenzofuran-1-one, 6,7-diamino-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 6,7-diamino-
Technical Specifications
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.05858 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.05858 Da |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
| SMILES | C1C2=C(C(=C(C=C2)N)N)C(=O)O1 |
| InChIKey | JQHYBIPMIMEYLN-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-diamino-3H-2-benzofuran-1-one
Property Insights of 6,7-diamino-3H-2-benzofuran-1-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-diamino-3H-2-benzofuran-1-one. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-diamino-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 6,7-diamino-3H-2-benzofuran-1-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6,7-diamino-3H-2-benzofuran-1-one?
The CAS number of 6,7-diamino-3H-2-benzofuran-1-one is 146767-11-5.
What is the molecular formula of 6,7-diamino-3H-2-benzofuran-1-one?
The molecular formula of 6,7-diamino-3H-2-benzofuran-1-one is C8H8N2O2.
What is the molecular weight of 6,7-diamino-3H-2-benzofuran-1-one?
The molecular weight of 6,7-diamino-3H-2-benzofuran-1-one is 164.05858 g/mol.
Where can I buy 6,7-diamino-3H-2-benzofuran-1-one?
You can request a quote for 6,7-diamino-3H-2-benzofuran-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-diamino-3H-2-benzofuran-1-one?
Yes, CoreyChem provides custom synthesis services for 6,7-diamino-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.