TL;DR: Manzamine D (CAS 116477-23-7) is a chemical compound with molecular formula C36H48N4O and molecular weight 552.3828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,4R,5Z,12R,13S,16Z)-25-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Also Known As: Manzamine D, (1S,2R,4R,5Z,12R,13S,16Z)-25-((1R)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-11,22-diazapentacyclo(11.11.2.12,22.02,12.04,11)heptacosa-5,16,25-trien-13-ol, (1S,2R,4R,5Z,12R,13S,16Z)-25-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-11,22-diazapentacyclo(11.11.2.12,22.02,12.04,11)heptacosa-5,16,25-trien-13-ol, (1S,2R,4R,5Z,12R,13S,16Z)-25-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol, (1S,2R,4R,5Z,12R,13S,16Z)-25-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
| Molecular Formula | C36H48N4O |
| Molecular Weight | 552.3828 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 552.3828 Da |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
| SMILES | C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6C7=C(CCN6)C8=CC=CC=C8N7 |
| InChIKey | XKUVHUCZHJQMJW-VHSSNGTLSA-N |
The XLogP value of 4.9 indicates that Manzamine D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Manzamine D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Manzamine D has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Manzamine D is 116477-23-7.
The molecular formula of Manzamine D is C36H48N4O.
The molecular weight of Manzamine D is 552.3828 g/mol.
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