![3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one structure](/static/products/302/302782-82-7.png)
3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one
TL;DR: 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one (CAS 302782-82-7) is a chemical compound with molecular formula C13H4F5NO4S and molecular weight 364.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,4,5,6-pentafluorophenyl)sulfonyl-1,3-benzoxazol-2-one
Also Known As: 3-((perfluorophenyl)sulfonyl)benzo[d]oxazol-2(3H)-one, 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one, 3-(2,3,4,5,6-pentafluorophenyl)sulfonyl-1,3-benzoxazol-2-one, 3-(2,3,4,5,6-PENTAFLUOROBENZENESULFONYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE
| Molecular Formula | C13H4F5NO4S |
|---|---|
| Molecular Weight | 364.98 g/mol |
| LogP | 2.527 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.97812 |
| Heavy Atoms | 24 |
| Complexity | 1120.1089 |
Chemical Identifiers
| CAS Number | 302782-82-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one (CAS 302782-82-7), with molecular formula C13H4F5NO4S and molecular weight 364.98 g/mol. IUPAC: 3-(2,3,4,5,6-pentafluorophenyl)sulfonyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one
Property Insights of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one has 0 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-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one is 302782-82-7.
What is the molecular formula of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one is C13H4F5NO4S.
What is the molecular weight of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one is 364.98 g/mol.
Where can I buy 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(pentafluorophenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.