Calealactone C
TL;DR: Calealactone C (CAS 499099-53-5) is a chemical compound with molecular formula C21H26O8 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Also Known As: Calealactone C, J2.125.698F, ((3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca(b)furan-4-yl) 2-methylprop-2-enoate, (1beta,10alpha)-2alpha-(Methacryloyloxy)-3beta-acetoxy-4beta-hydroxy-4,8-dimethyl-13-methylene-11-oxabicyclo[8.3.0]tridecane-7-ene-5,12-dione, (3aS,4S,5R,6R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,6H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
| Molecular Formula | C21H26O8 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 1.564 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.16278 |
| Heavy Atoms | 29 |
| Complexity | 803.4987 |
Chemical Identifiers
| CAS Number | 499099-53-5 |
|---|---|
| SMILES | C/C/1=C/CC(=O)[C@]([C@@H]([C@H]([C@@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C(=C)C)OC(=O)C)(C)O |
Product Overview
Calealactone C (CAS 499099-53-5), with molecular formula C21H26O8 and molecular weight 406.16 g/mol. IUPAC: [(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate.
Chemical Property Profile of Calealactone C
Property Insights of Calealactone C
The XLogP value of 1.564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calealactone C. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Calealactone C. Following Lipinski's Rule of Five, Calealactone C has 1 hydrogen bond donor(s) and 8 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 Calealactone C?
The CAS number of Calealactone C is 499099-53-5.
What is the molecular formula of Calealactone C?
The molecular formula of Calealactone C is C21H26O8.
What is the molecular weight of Calealactone C?
The molecular weight of Calealactone C is 406.16 g/mol.
Where can I buy Calealactone C?
You can request a quote for Calealactone C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calealactone C?
Yes, KEHONG BIO provides custom synthesis services for Calealactone C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.