TL;DR: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester (CAS 101001-33-6) is a chemical compound with molecular formula C24H22N2O4S and molecular weight 434.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Also Known As: Methyl-2-(4,5-bis(4-methoxyphenyl)thiazol-2-yl)-pyrrole-1-acetate, Methyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-1H-pyrrole-1-acetate), 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester, methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate, 1H-Pyrrole-1-acetic acid,2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-,methyl ester
| Molecular Formula | C24H22N2O4S |
| Molecular Weight | 434.13004 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.13004 Da |
| Heavy Atoms | 31 |
| Complexity | 578.0 |
| SMILES | COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)OC)C4=CC=C(C=C4)OC |
| InChIKey | UPGJYJSMOOPNSM-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester is 101001-33-6.
The molecular formula of 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester is C24H22N2O4S.
The molecular weight of 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl-, methyl ester is 434.13004 g/mol.
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