9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine
TL;DR: 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine (CAS 19047-31-5) is a chemical compound with molecular formula C32H38N4O12 and molecular weight 670.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-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: 9-Ohn3Bz-erd, 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine, 3-{[(4-azidobenzoyl)oxy]methyl}-3,4,6,7,8a,8b,9a-heptahydroxy-6a,9-dimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1h-pyrrole-2-carboxylate, [3-[(4-Azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate, RefChem:107932
| Molecular Formula | C32H38N4O12 |
|---|---|
| Molecular Weight | 670.25 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 670.2486 |
| Heavy Atoms | 48 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 19047-31-5 |
|---|---|
| SMILES | CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(COC(=O)C6=CC=C(C=C6)N=[N+]=[N-])O)O)O4)O)C)O)C)O)OC(=O)C7=CC=CN7)O |
| InChIKey | RBRXGLGSRFGFHH-UHFFFAOYSA-N |
Product Overview
9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine (CAS 19047-31-5), with molecular formula C32H38N4O12 and molecular weight 670.25 g/mol. IUPAC: [3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate.
Chemical Property Profile of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine
Property Insights of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine. The TPSA of 234.0 Ų indicates high polarity, suggesting 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine?
The CAS number of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine is 19047-31-5.
What is the molecular formula of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine?
The molecular formula of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine is C32H38N4O12.
What is the molecular weight of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine?
The molecular weight of 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine is 670.25 g/mol.
Where can I buy 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine?
You can request a quote for 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.