![6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid structure](/static/products/866/866051-08-3.png)
6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866051-08-3) is a chemical compound with molecular formula C18H19NO7S2 and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6X-0304, 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 6-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
| Molecular Formula | C18H19NO7S2 |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 1.82952 |
| Topological Polar Surface Area | 118.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.0603 |
| Heavy Atoms | 28 |
| Complexity | 1123.0242 |
Chemical Identifiers
| CAS Number | 866051-08-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O |
Product Overview
6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866051-08-3), with molecular formula C18H19NO7S2 and molecular weight 425.06 g/mol. IUPAC: 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 1.82952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 118.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 866051-08-3.
What is the molecular formula of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C18H19NO7S2.
What is the molecular weight of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 425.06 g/mol.
Where can I buy 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-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 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.