TL;DR: BAS 02249215 (CAS 1033606-23-3) is a chemical compound with molecular formula C24H27N3O6S and molecular weight 485.16205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: BAS 02249215, methyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, methyl 4-(2-(3-(3,4-dimethoxyphenethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-1,3-diaz olidin-4-yl}acetylamino)benzoate
| Molecular Formula | C24H27N3O6S |
| Molecular Weight | 485.16205 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.16205 Da |
| Heavy Atoms | 34 |
| Complexity | 757.0 |
| SMILES | CN1C(=O)C(N(C1=S)CCC2=CC(=C(C=C2)OC)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
| InChIKey | ARWBXAWJNUHLSB-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02249215. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02249215. Following Lipinski's Rule of Five, BAS 02249215 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 02249215 is 1033606-23-3.
The molecular formula of BAS 02249215 is C24H27N3O6S.
The molecular weight of BAS 02249215 is 485.16205 g/mol.
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