6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
TL;DR: 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one (CAS 116007-11-5) is a chemical compound with molecular formula C15H23NO4S and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Also Known As: Sethoxydim-1,3-oxazole-sulfone, 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one, 5H-1,3-Benzoxazol-4-one, 6,7-dihydro-6-(2-ethylsulfonylpropyl)-2-propyl-, 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-benzooxazol-4-one, 6-[2-(Ethanesulfonyl)propyl]-2-propyl-6,7-dihydro-1,3-benzoxazol-4(5H)-one
| Molecular Formula | C15H23NO4S |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.13477 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 116007-11-5 |
|---|---|
| SMILES | CCCC1=NC2=C(O1)CC(CC2=O)CC(C)S(=O)(=O)CC |
| InChIKey | TVHWEOVWZCXSRH-UHFFFAOYSA-N |
Product Overview
6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one (CAS 116007-11-5), with molecular formula C15H23NO4S and molecular weight 313.13 g/mol. IUPAC: 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one.
Chemical Property Profile of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Property Insights of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one. Following Lipinski's Rule of Five, 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one has 0 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 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The CAS number of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is 116007-11-5.
What is the molecular formula of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The molecular formula of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is C15H23NO4S.
What is the molecular weight of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The molecular weight of 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is 313.13 g/mol.
Where can I buy 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
You can request a quote for 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-ethylsulfonylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.