4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one
TL;DR: 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one (CAS 705281-79-4) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methyl-3H-2-benzofuran-1-one
Also Known As: 4-amino-3-methyl-1,3-dihydro-2-benzofuran-1-one, 4-amino-3-methyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 4-amino-3-methyl-, 4-amino-3-methyl-3H-isobenzofuran-1-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 705281-79-4 |
|---|---|
| SMILES | CC1C2=C(C=CC=C2N)C(=O)O1 |
| InChIKey | OLARWMMQYDRQHZ-UHFFFAOYSA-N |
Product Overview
4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one (CAS 705281-79-4), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4-amino-3-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one
Property Insights of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-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
Frequently Asked Questions
What is the CAS number of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one?
The CAS number of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one is 705281-79-4.
What is the molecular formula of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one?
The molecular formula of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one is C9H9NO2.
What is the molecular weight of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one?
The molecular weight of 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one is 163.06 g/mol.
Where can I buy 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one?
You can request a quote for 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-methyl-1,3-dihydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.