Nigakilactone C
TL;DR: Nigakilactone C (CAS 27844-93-5) is a chemical compound with molecular formula C24H34O7 and molecular weight 434.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate
Also Known As: Nigakilactone C, Nigakilactone, Nigakilacton C, quassin, KST-1A3416
| Molecular Formula | C24H34O7 |
|---|---|
| Molecular Weight | 434.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.23044 |
| Heavy Atoms | 31 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 27844-93-5 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@H]([C@@H]4CC(=O)O3)C)OC)OC(=O)C)C)C)OC |
| InChIKey | JFFUKRBVELYCPJ-FIKFPIMESA-N |
Product Overview
Nigakilactone C (CAS 27844-93-5), with molecular formula C24H34O7 and molecular weight 434.23 g/mol. IUPAC: [(1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate.
Chemical Property Profile of Nigakilactone C
Property Insights of Nigakilactone C
The XLogP value of 3.1 indicates that Nigakilactone C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nigakilactone C. Following Lipinski's Rule of Five, Nigakilactone C has 0 hydrogen bond donor(s) and 7 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 Nigakilactone C?
The CAS number of Nigakilactone C is 27844-93-5.
What is the molecular formula of Nigakilactone C?
The molecular formula of Nigakilactone C is C24H34O7.
What is the molecular weight of Nigakilactone C?
The molecular weight of Nigakilactone C is 434.23 g/mol.
Where can I buy Nigakilactone C?
You can request a quote for Nigakilactone C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigakilactone C?
Yes, KEHONG BIO provides custom synthesis services for Nigakilactone C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.