Nigakilactone A
TL;DR: Nigakilactone A (CAS 24148-76-3) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Also Known As: NIGAKILACTONE A, Urfadin, 11,12-Dihydroxy-2-methoxypicras-2-ene-1,16-dione, 11,12-Dihydroxy-2-methoxypicras-2-ene-1,16-dione #, Picras-2-ene-1,16-dione, 11,12-dihydroxy-2-methoxy-, (11.alpha.,12.beta.)-
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 24148-76-3 |
|---|---|
| SMILES | CC1C=C(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)O)O)C)C)OC |
| InChIKey | ZIVURVYGGHVTQO-UHFFFAOYSA-N |
Product Overview
Nigakilactone A (CAS 24148-76-3), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: 15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione.
Chemical Property Profile of Nigakilactone A
Property Insights of Nigakilactone A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nigakilactone A. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nigakilactone A. Following Lipinski's Rule of Five, Nigakilactone A has 2 hydrogen bond donor(s) and 6 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 A?
The CAS number of Nigakilactone A is 24148-76-3.
What is the molecular formula of Nigakilactone A?
The molecular formula of Nigakilactone A is C21H30O6.
What is the molecular weight of Nigakilactone A?
The molecular weight of Nigakilactone A is 378.20 g/mol.
Where can I buy Nigakilactone A?
You can request a quote for Nigakilactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigakilactone A?
Yes, KEHONG BIO provides custom synthesis services for Nigakilactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.