Tedanolide
TL;DR: Tedanolide (CAS 92471-87-9) is a chemical compound with molecular formula C32H50O11 and molecular weight 610.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
Also Known As: Tedanolide, (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone, Oxacyclooctadec-9-ene-2,6,12,16-tetrone, 3,8,14-trihydroxy-17-((S)-hydroxy((2R,3R)-2-methyl-3-((1S,2Z)-1-methyl-2-butenyl)oxiranyl)methyl)-4-methoxy-5,7,9,11,15-pentamethyl-, (3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-
| Molecular Formula | C32H50O11 |
|---|---|
| Molecular Weight | 610.34 g/mol |
| LogP | 1.5758 |
| Topological Polar Surface Area | 180.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 610.3353 |
| Heavy Atoms | 43 |
| Complexity | 1083.1849 |
Chemical Identifiers
| CAS Number | 92471-87-9 |
|---|---|
| SMILES | C/C=C\[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C\[C@@H](C(=O)C[C@@H]([C@H](C2=O)C)O)C)/C)O)C)C)OC)O)O |
Product Overview
Tedanolide (CAS 92471-87-9), with molecular formula C32H50O11 and molecular weight 610.34 g/mol. IUPAC: (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone.
Chemical Property Profile of Tedanolide
Property Insights of Tedanolide
The XLogP value of 1.5758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tedanolide. The TPSA of 180.19 Ų indicates high polarity, suggesting Tedanolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tedanolide has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tedanolide?
The CAS number of Tedanolide is 92471-87-9.
What is the molecular formula of Tedanolide?
The molecular formula of Tedanolide is C32H50O11.
What is the molecular weight of Tedanolide?
The molecular weight of Tedanolide is 610.34 g/mol.
Where can I buy Tedanolide?
You can request a quote for Tedanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tedanolide?
Yes, KEHONG BIO provides custom synthesis services for Tedanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.