5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
TL;DR: 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid (CAS 832737-91-4) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
Also Known As: 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid, 5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid, BAS 10826985, 5-Methyl-4,5,6,7-tetrahydro-benzo[d]isoxazole-3-carboxylic acid, 5-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.4976 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 342.62906 |
Chemical Identifiers
| CAS Number | 832737-91-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=NO2)C(=O)O |
Product Overview
5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid (CAS 832737-91-4), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid.
Chemical Property Profile of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
Property Insights of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
The XLogP value of 1.4976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid 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 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The CAS number of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is 832737-91-4.
What is the molecular formula of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The molecular formula of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is C9H11NO3.
What is the molecular weight of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The molecular weight of 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is 181.07 g/mol.
Where can I buy 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
You can request a quote for 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.