9,21-Didehydroryanodine
TL;DR: 9,21-Didehydroryanodine (CAS 94513-55-0) is a chemical compound with molecular formula C25H33NO9 and molecular weight 491.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-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: Dehydro-ryanodine, DEHYDRORYANODINE, DH-ryanodine, 9,21-Didehydroryanodine, 9,21-DEHYDRORYANODINE
| Molecular Formula | C25H33NO9 |
|---|---|
| Molecular Weight | 491.22 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.21555 |
| Heavy Atoms | 35 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 94513-55-0 |
|---|---|
| SMILES | CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(CCC(=C)[C@H]5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| InChIKey | BPFNBBLVUYSFRK-OHEPIYSBSA-N |
Product Overview
9,21-Didehydroryanodine (CAS 94513-55-0), with molecular formula C25H33NO9 and molecular weight 491.22 g/mol. IUPAC: [(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-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 9,21-Didehydroryanodine
Property Insights of 9,21-Didehydroryanodine
The XLogP value of -1.1 indicates that 9,21-Didehydroryanodine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting 9,21-Didehydroryanodine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,21-Didehydroryanodine has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,21-Didehydroryanodine?
The CAS number of 9,21-Didehydroryanodine is 94513-55-0.
What is the molecular formula of 9,21-Didehydroryanodine?
The molecular formula of 9,21-Didehydroryanodine is C25H33NO9.
What is the molecular weight of 9,21-Didehydroryanodine?
The molecular weight of 9,21-Didehydroryanodine is 491.22 g/mol.
Where can I buy 9,21-Didehydroryanodine?
You can request a quote for 9,21-Didehydroryanodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,21-Didehydroryanodine?
Yes, KEHONG BIO provides custom synthesis services for 9,21-Didehydroryanodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.