![4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid structure](/static/products/866/866134-75-0.png)
4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-75-0) is a chemical compound with molecular formula C19H20ClNO5S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 4-(4-tert-butylbenzenesulfonyl)-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylicacid
| Molecular Formula | C19H20ClNO5S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 3.6784 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.07507 |
| Heavy Atoms | 27 |
| Complexity | 980.14984 |
Chemical Identifiers
| CAS Number | 866134-75-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)Cl)C(=O)O |
Product Overview
4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-75-0), with molecular formula C19H20ClNO5S and molecular weight 409.08 g/mol. IUPAC: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 3.6784 indicates that 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-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 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 866134-75-0.
What is the molecular formula of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C19H20ClNO5S.
What is the molecular weight of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 409.08 g/mol.
Where can I buy 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-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 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.