Castelanone
TL;DR: Castelanone (CAS 90767-70-7) is a chemical compound with molecular formula C25H34O9 and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate
Also Known As: Castelanone, KST-1A8825, (1, A,8xi,11, A,12
| Molecular Formula | C25H34O9 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.22028 |
| Heavy Atoms | 34 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 90767-70-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3C24CO[C@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)CC(C)C |
| InChIKey | XYGCQTNZODZWCL-QVUDBRIDSA-N |
Product Overview
Castelanone (CAS 90767-70-7), with molecular formula C25H34O9 and molecular weight 478.22 g/mol. IUPAC: [(4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate.
Chemical Property Profile of Castelanone
Property Insights of Castelanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Castelanone. The TPSA of 140.0 Ų indicates high polarity, suggesting Castelanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Castelanone has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Castelanone?
The CAS number of Castelanone is 90767-70-7.
What is the molecular formula of Castelanone?
The molecular formula of Castelanone is C25H34O9.
What is the molecular weight of Castelanone?
The molecular weight of Castelanone is 478.22 g/mol.
Where can I buy Castelanone?
You can request a quote for Castelanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Castelanone?
Yes, KEHONG BIO provides custom synthesis services for Castelanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.