5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one
TL;DR: 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one (CAS 6940-67-6) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4-benzyl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-3-one
Also Known As: 5-Amino-4-benzyl-2-tosylisoxazol-3(2H)-one, 5-amino-4-benzyl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-3-one, 5-amino-4-benzyl-2-[(4-methylphenyl)sulfonyl]-1,2-oxazol-3(2h)-one, 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one, 3(2H)-Isoxazolone, 5-amino-2-[(4-methylphenyl)sulfonyl]-4-(phenylmethyl)-
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 6940-67-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C(=C(O2)N)CC3=CC=CC=C3 |
| InChIKey | QWXMMYDOJSUOJV-UHFFFAOYSA-N |
Product Overview
5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one (CAS 6940-67-6), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 5-amino-4-benzyl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-3-one.
Chemical Property Profile of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one
Property Insights of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one. Following Lipinski's Rule of Five, 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one has 1 hydrogen bond donor(s) and 5 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-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one?
The CAS number of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one is 6940-67-6.
What is the molecular formula of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one?
The molecular formula of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one is C17H16N2O4S.
What is the molecular weight of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one?
The molecular weight of 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one is 344.08 g/mol.
Where can I buy 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one?
You can request a quote for 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-benzyl-2-(4-methylbenzene-1-sulfonyl)-1,2-oxazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.