Nagilactone E
TL;DR: Nagilactone E (CAS 36895-12-2) is a chemical compound with molecular formula C19H24O6 and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5R,10S,13S,14R,17R)-13-hydroxy-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
Also Known As: Nagilactone E, KST-1A4444, Podolactone B, 1,2-deepoxy-15,16-dideoxy-, (2r,5bs,8s,8ar,8br,10as,10br)-8-hydroxy-5b,8a-dimethyl-2-(propan-2-yl)-5b,6,7,8,8a,8b,10a,10b-octahydro-4h,9h-[2]benzofuro[7,1-fg]oxireno[i]isochromene-4,9-dione, (1S,2R,5R,10S,13S,14R,17R)-13-hydroxy-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo(8.6.1.02,4.04,9.014,17)heptadec-8-ene-7,15-dione
| Molecular Formula | C19H24O6 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.1573 |
| Heavy Atoms | 25 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 36895-12-2 |
|---|---|
| SMILES | CC(C)[C@@H]1C23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(CC[C@@H]([C@@]5(C(=O)O4)C)O)C |
| InChIKey | JOTPYRMNAYGVBN-TYQYQVCMSA-N |
Product Overview
Nagilactone E (CAS 36895-12-2), with molecular formula C19H24O6 and molecular weight 348.16 g/mol. IUPAC: (1S,2R,5R,10S,13S,14R,17R)-13-hydroxy-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione.
Chemical Property Profile of Nagilactone E
Property Insights of Nagilactone E
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nagilactone E. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nagilactone E. Following Lipinski's Rule of Five, Nagilactone E has 1 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 Nagilactone E?
The CAS number of Nagilactone E is 36895-12-2.
What is the molecular formula of Nagilactone E?
The molecular formula of Nagilactone E is C19H24O6.
What is the molecular weight of Nagilactone E?
The molecular weight of Nagilactone E is 348.16 g/mol.
Where can I buy Nagilactone E?
You can request a quote for Nagilactone E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nagilactone E?
Yes, KEHONG BIO provides custom synthesis services for Nagilactone E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.