![3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid structure](/static/products/3501/35017-55-1.webp)
3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid (CAS 35017-55-1) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, BUTTPARK 7\07-41, 4-Tosyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid, 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, A3793/0161084
| Molecular Formula | C16H15NO5S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.03592 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0671 |
| Heavy Atoms | 23 |
| Complexity | 845.02924 |
Chemical Identifiers
| CAS Number | 35017-55-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O |
Product Overview
3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid (CAS 35017-55-1), with molecular formula C16H15NO5S and molecular weight 333.07 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 2.03592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid has 1 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 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid is 35017-55-1.
What is the molecular formula of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid is C16H15NO5S.
What is the molecular weight of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid is 333.07 g/mol.
Where can I buy 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-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 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-4-[(4-methylphenyl)sulfonyl]-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.