![3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine structure](/static/products/4780/478043-16-2.webp)
3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
TL;DR: 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine (CAS 478043-16-2) is a chemical compound with molecular formula C19H23NO3S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
Also Known As: 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine, 3-tert-butyl-4-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine, 3-tert-butyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine, 3-tert-butyl-4-tosyl-2,3-dihydro-1,4-benzoxazine, 3-tert-butyl-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine
| Molecular Formula | C19H23NO3S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 3.99742 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.13986 |
| Heavy Atoms | 24 |
| Complexity | 835.66077 |
Chemical Identifiers
| CAS Number | 478043-16-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)C(C)(C)C |
Product Overview
3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine (CAS 478043-16-2), with molecular formula C19H23NO3S and molecular weight 345.14 g/mol. IUPAC: 3-tert-butyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
Chemical Property Profile of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
Property Insights of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine
The XLogP value of 3.99742 indicates that 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine has 0 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 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine?
The CAS number of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine is 478043-16-2.
What is the molecular formula of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine?
The molecular formula of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine is C19H23NO3S.
What is the molecular weight of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine?
The molecular weight of 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine is 345.14 g/mol.
Where can I buy 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine?
You can request a quote for 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-butyl)-4-[(4-methylphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.