TL;DR: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one (CAS 1164517-97-8) is a chemical compound with molecular formula C24H21NO3S and molecular weight 403.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
Also Known As: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one, (Z)-2-Benzooxazol-2-yl-1-(4-isopropoxy-phenyl)-3-(3-methyl-thiophen-2-yl)-propenone, (2Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-[4-(propan-2-yloxy)phenyl]prop-2-en-1-one, (2Z)-2-benzoxazol-2-yl-3-(3-methyl(2-thienyl))-1-[4-(methylethoxy)phenyl]prop- 2-en-1-one, (Z)-2-(1,3-benzoxazol-2-yl)-1-(4-isopropoxyphenyl)-3-(3-methyl-2-thienyl)prop-2-en-1-one
| Molecular Formula | C24H21NO3S |
| Molecular Weight | 403.1242 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1242 Da |
| Heavy Atoms | 29 |
| Complexity | 599.0 |
| SMILES | CC1=C(SC=C1)/C=C(/C2=NC3=CC=CC=C3O2)\C(=O)C4=CC=C(C=C4)OC(C)C |
| InChIKey | CCKUDAZHDOXCHD-XMHGGMMESA-N |
The XLogP value of 6.1 indicates that (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one is 1164517-97-8.
The molecular formula of (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one is C24H21NO3S.
The molecular weight of (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one is 403.1242 g/mol.
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