TL;DR: Mobam (CAS 1079-33-0) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
莫巴克
1-benzothiophen-4-yl N-methylcarbamate
Also Known As: MOBAM, Mobam phenol, 4-Benzothienyl methylcarbamate, Mobil MC-A-600, Caswell No. 081D
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.0354 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| Melting Point | 128 °C |
| Solubility | Greater than 20% soluble in dimethylsulfoxide, acetone, methylethyl ketone, toluidine, triethylene glycol, acetonitrile, dioxane, and methylene chloride; greater than 10% soluble in ethanol, ethyl acetate, ethylene glycol, propanol, and methanol; greater than 5% soluble in benzene and isobutanol; greater than 1% soluble in carbon tetrachloride, glycerin, toluene, and xylene; less than 0.1% soluble in kerosene, heptane, and water |
| SMILES | CNC(=O)OC1=C2C=CSC2=CC=C1 |
| InChIKey | BOTUVXISJHKZKJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mobam. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mobam. Following Lipinski's Rule of Five, Mobam has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Mobam is 1079-33-0.
The molecular formula of Mobam is C10H9NO2S.
The molecular weight of Mobam is 207.0354 g/mol.
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