6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
TL;DR: 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one (CAS 13401-95-1) is a chemical compound with molecular formula C15H23NO3S and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Also Known As: 1-phenylchlorocyclopropane, 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one, 4(5H)-Benzoxazolone,6-[2-(ethylsulfinyl)propyl]-6,7-dihydro-2-propyl-, 6-(2-(Ethylsulfinyl)propyl)-2-propyl-6,7-dihydrobenzo[d]oxazol-4(5H)-one, 6-[2-(ethylsulfinyl)propyl]-2-propyl-6,7-dihydro-1,3-benzoxazol-4(5h)-one
| Molecular Formula | C15H23NO3S |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.13986 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 13401-95-1 |
|---|---|
| SMILES | CCCC1=NC2=C(O1)CC(CC2=O)CC(C)S(=O)CC |
| InChIKey | NAZWBDBUNHROBT-UHFFFAOYSA-N |
Product Overview
6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one (CAS 13401-95-1), with molecular formula C15H23NO3S and molecular weight 297.14 g/mol. IUPAC: 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one.
Chemical Property Profile of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
Property Insights of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one. Following Lipinski's Rule of Five, 6-(2-ethylsulfinylpropyl)-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-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The CAS number of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is 13401-95-1.
What is the molecular formula of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The molecular formula of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is C15H23NO3S.
What is the molecular weight of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The molecular weight of 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one is 297.14 g/mol.
Where can I buy 6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
You can request a quote for 6-(2-ethylsulfinylpropyl)-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-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-ethylsulfinylpropyl)-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.