TL;DR: (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CAS 153982-44-6) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
Also Known As: (S)-5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID, BAS 10113353, (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid, (6S)-5-tert-Butoxycarbonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid, (S)-5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylicacid
| Molecular Formula | C12H17N3O4 |
| Molecular Weight | 267.12192 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.12192 Da |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
| SMILES | CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)O)N=CN2 |
| InChIKey | YGCXTGCCLCADLQ-VIFPVBQESA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid. Following Lipinski's Rule of Five, (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is 153982-44-6.
The molecular formula of (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is C12H17N3O4.
The molecular weight of (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is 267.12192 g/mol.
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