TL;DR: 10-O-(3-(4-azidobenzamido)propionyl)ryanodine (CAS 154505-02-9) is a chemical compound with molecular formula C35H43N5O11 and molecular weight 709.2959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[3-[(4-azidobenzoyl)amino]propanoyloxy]-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Also Known As: 10-Abpr, 10-O-(3-(4-Azidobenzamido)propionyl)ryanodine, [2-[3-[(4-Azidobenzoyl)amino]propanoyloxy]-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate, 4-{[N-(4-Azidobenzoyl)-beta-alanyl]oxy}-6,7,8a,8b,9a-pentahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate
| Molecular Formula | C35H43N5O11 |
| Molecular Weight | 709.2959 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 709.2959 Da |
| Heavy Atoms | 51 |
| Complexity | 1550.0 |
| SMILES | CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1OC(=O)CCNC(=O)C6=CC=C(C=C6)N=[N+]=[N-])O4)O)O)OC(=O)C7=CC=CN7)(C(C)C)O)C)O)C)O |
| InChIKey | GLMBUFFXAIWBPC-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-O-(3-(4-azidobenzamido)propionyl)ryanodine. The TPSA of 222.0 Ų indicates high polarity, suggesting 10-O-(3-(4-azidobenzamido)propionyl)ryanodine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-O-(3-(4-azidobenzamido)propionyl)ryanodine has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-O-(3-(4-azidobenzamido)propionyl)ryanodine is 154505-02-9.
The molecular formula of 10-O-(3-(4-azidobenzamido)propionyl)ryanodine is C35H43N5O11.
The molecular weight of 10-O-(3-(4-azidobenzamido)propionyl)ryanodine is 709.2959 g/mol.
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