TL;DR: HP 736 (CAS 141271-42-3) is a chemical compound with molecular formula C17H21BrN2O5 and molecular weight 412.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol;(E)-but-2-enedioic acid
Also Known As: HP 736, 7-Bromo-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-6)indol-5-ol fumarate, Pyrrolo(2,3-b)indol-5-ol, 7-bromo-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, cis-, (E)-2-butenedioate (1:1) (salt), (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; (E)-but-2-enedioic acid, (3aR,8bS)-5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol;(E)-but-2-enedioic acid
| Molecular Formula | C17H21BrN2O5 |
| Molecular Weight | 412.0634 g/mol |
| XLogP | 2.2356 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.0634 Da |
| Heavy Atoms | 25 |
| Complexity | 446.0 |
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3Br)O)C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | FDVAUWJRKQMCOL-XDRMOJKASA-N |
The XLogP value of 2.2356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HP 736. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HP 736. Following Lipinski's Rule of Five, HP 736 has 3 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 HP 736 is 141271-42-3.
The molecular formula of HP 736 is C17H21BrN2O5.
The molecular weight of HP 736 is 412.0634 g/mol.
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