TL;DR: Ramatroban (CAS 116649-85-5) is a chemical compound with molecular formula C21H21FN2O4S and molecular weight 416.1206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Also Known As: Ramatroban, BAY-u3405, 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, Bay u 3406; Bay u-3405; BAY u3405, 2,5-THIOPHENEDICARBOXYLICACIDMONOETHYLESTER
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H21FN2O4S |
| Molecular Weight | 416.1206 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1206 Da |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
| SMILES | C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O |
| InChIKey | LDXDSHIEDAPSSA-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ramatroban. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ramatroban. Following Lipinski's Rule of Five, Ramatroban 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 Ramatroban is 116649-85-5.
The molecular formula of Ramatroban is C21H21FN2O4S.
The molecular weight of Ramatroban is 416.1206 g/mol.
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