TL;DR: RefChem:326007 (CAS 134106-77-7) is a chemical compound with molecular formula C31H33BrN4O8 and molecular weight 668.1482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 8-(bromomethyl)-2-methyl-4-(pyrrolidine-1-carbonyloxy)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Also Known As: Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(bromomethyl)-2-methyl-4-((1-pyrrolidinylcarbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, methyl 8-(bromomethyl)-2-methyl-4-(pyrrolidine-1-carbonyloxy)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate, Methyl 8-(bromomethyl)-2-methyl-4-[(pyrrolidine-1-carbonyl)oxy]-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
| Molecular Formula | C31H33BrN4O8 |
| Molecular Weight | 668.1482 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 668.1482 Da |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
| SMILES | CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N4CCCC4)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC |
| InChIKey | LIQXNGVTTAMQFQ-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that RefChem:326007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326007. Following Lipinski's Rule of Five, RefChem:326007 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:326007 is 134106-77-7.
The molecular formula of RefChem:326007 is C31H33BrN4O8.
The molecular weight of RefChem:326007 is 668.1482 g/mol.
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