TL;DR: 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester) (CAS 59206-66-5) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] benzenesulfonate
Also Known As: SO-Fbdz, Methyl N-(2-(5-phenylsulfoxy)benzimidazolyl) carbamate, N-(2-(5-Phenylsulfoxy)benzimidazolyl) methyl carbamate, N(Phenylsulfoxy-5, benzimidazolyl)2, carbamate de methyle [French], 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester)
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H13N3O5S |
| Molecular Weight | 347.0576 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.0576 Da |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | ZUZYOMXFDWJOET-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester). The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester). Following Lipinski's Rule of Five, 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester) has 2 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 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester) is 59206-66-5.
The molecular formula of 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester) is C15H13N3O5S.
The molecular weight of 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester) is 347.0576 g/mol.
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