TL;DR: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide (CAS 1164467-23-5) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide, 1-[(E)-3-(3,4-Dimethoxy-phenyl)-acryloyl]-3-(2-methoxy-dibenzofuran-3-yl)-thiourea, (E)-3-(3,4-dimethoxyphenyl)-N-((2-methoxydibenzo[b,d]furan-3-yl)carbamothioyl)acrylamide, (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)thiocarbamoyl]acrylamide, (2E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzo[b,d]furan-3-yl)carbamothioyl]prop-2-enamide
| Molecular Formula | C25H22N2O5S |
| Molecular Weight | 462.12494 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12494 Da |
| Heavy Atoms | 33 |
| Complexity | 719.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)OC |
| InChIKey | YCJKTVAXKUUAAR-PKNBQFBNSA-N |
The XLogP value of 5.6 indicates that (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide is 1164467-23-5.
The molecular formula of (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide is C25H22N2O5S.
The molecular weight of (E)-3-(3,4-dimethoxyphenyl)-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]prop-2-enamide is 462.12494 g/mol.
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