4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
TL;DR: 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid (CAS 586983-55-3) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
Also Known As: 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid, 4-hydroxyimino-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic Acid, 2-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-(hydroxyimino)-3-methyl-
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.80082 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 444.52002 |
Chemical Identifiers
| CAS Number | 586983-55-3 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=NO)CCC2)C(=O)O |
Product Overview
4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid (CAS 586983-55-3), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
Property Insights of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
The XLogP value of 1.80082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The CAS number of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is 586983-55-3.
What is the molecular formula of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The molecular formula of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is C10H11NO4.
What is the molecular weight of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The molecular weight of 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is 209.07 g/mol.
Where can I buy 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
You can request a quote for 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxyimino-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.