TL;DR: AB01323032-02 (CAS 1095322-97-6) is a chemical compound with molecular formula C18H21BrO7 and molecular weight 428.04706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl) 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
Also Known As: AB01323032-02, F1633-0041, 4-bromophenyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylate, (4-bromophenyl) 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate, 4-bromophenyl 2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylate
| Molecular Formula | C18H21BrO7 |
| Molecular Weight | 428.04706 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.04706 Da |
| Heavy Atoms | 26 |
| Complexity | 558.0 |
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)OC4=CC=C(C=C4)Br)C |
| InChIKey | WLZITUKKHHQEKY-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01323032-02. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01323032-02. Following Lipinski's Rule of Five, AB01323032-02 has 0 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 AB01323032-02 is 1095322-97-6.
The molecular formula of AB01323032-02 is C18H21BrO7.
The molecular weight of AB01323032-02 is 428.04706 g/mol.
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