1(3H)-Isobenzofuranone, 5-amino-3-methyl-
TL;DR: 1(3H)-Isobenzofuranone, 5-amino-3-methyl- (CAS 217196-56-0) 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.
5-amino-3-methyl-3H-2-benzofuran-1-one
Also Known As: 5-amino-3-methyl-phthalide, 1(3H)-Isobenzofuranone, 5-amino-3-methyl-, 5-amino-3-methyl-3H-2-benzofuran-1-one, 5-amino-3-methyl-3H-isobenzofuran-1-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.7 |
| 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 | 217196-56-0 |
|---|---|
| SMILES | CC1C2=C(C=CC(=C2)N)C(=O)O1 |
| InChIKey | WQZFMGQDYWLWQW-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 5-amino-3-methyl- (CAS 217196-56-0), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 5-amino-3-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 5-amino-3-methyl-
Property Insights of 1(3H)-Isobenzofuranone, 5-amino-3-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 5-amino-3-methyl-. With a topological polar surface area (TPSA) of 52.3 Ų, 1(3H)-Isobenzofuranone, 5-amino-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 5-amino-3-methyl- 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 1(3H)-Isobenzofuranone, 5-amino-3-methyl-?
The CAS number of 1(3H)-Isobenzofuranone, 5-amino-3-methyl- is 217196-56-0.
What is the molecular formula of 1(3H)-Isobenzofuranone, 5-amino-3-methyl-?
The molecular formula of 1(3H)-Isobenzofuranone, 5-amino-3-methyl- is C9H9NO2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 5-amino-3-methyl-?
The molecular weight of 1(3H)-Isobenzofuranone, 5-amino-3-methyl- is 163.06 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 5-amino-3-methyl-?
You can request a quote for 1(3H)-Isobenzofuranone, 5-amino-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 5-amino-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 5-amino-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.