TL;DR: Tilitriandrine (CAS 120139-68-6) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
Also Known As: Tilitriandrin, Tilitriandrine, 9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol, 9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo(22.6.2.13,7.18,12.114,18.027,31.022,33)pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.273 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 594.273 Da |
| Heavy Atoms | 44 |
| Complexity | 956.0 |
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| InChIKey | IXKWJOUSNXVCKD-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Tilitriandrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tilitriandrine. Following Lipinski's Rule of Five, Tilitriandrine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tilitriandrine is 120139-68-6.
The molecular formula of Tilitriandrine is C36H38N2O6.
The molecular weight of Tilitriandrine is 594.273 g/mol.
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