![4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one structure](/static/products/847/847761-48-2.png)
4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one
TL;DR: 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one (CAS 847761-48-2) is a chemical compound with molecular formula C23H21FN2O4S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
Also Known As: 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one, 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
| Molecular Formula | C23H21FN2O4S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 5.61822 |
| Topological Polar Surface Area | 78.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.1206 |
| Heavy Atoms | 31 |
| Complexity | 1265.0482 |
Chemical Identifiers
| CAS Number | 847761-48-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)CSC3=NN=C(O3)COC4=CC=C(C=C4)F |
Product Overview
4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one (CAS 847761-48-2), with molecular formula C23H21FN2O4S and molecular weight 440.12 g/mol. IUPAC: 4-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one.
Chemical Property Profile of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one
Property Insights of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one
The XLogP value of 5.61822 indicates that 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one?
The CAS number of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one is 847761-48-2.
What is the molecular formula of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one?
The molecular formula of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one is C23H21FN2O4S.
What is the molecular weight of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one?
The molecular weight of 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one is 440.12 g/mol.
Where can I buy 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one?
You can request a quote for 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-6-(1-methylethyl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.