Nagilactone D
TL;DR: Nagilactone D (CAS 19891-53-3) is a chemical compound with molecular formula C18H20O6 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,5R,6R,9R,17R)-12-ethyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
Also Known As: Nagilactone D, Podolactone B, 7,8-deepoxy-8,14-didehydro-15-de(hydroxymethyl)-15-deoxy-, (1alpha,2alpha)-, (1S,2S,4R,5R,6R,9R,17R)-12-ethyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione, 3H,8H-Furo(2',3',4':4,5)oxireno(7,8)naphtho(2,1-c)pyran-3,8-dione, 6-ethyl-1a.2.2a.4a.4b.5.9b.9c-octahydro-2-hydroxy-2,9-dimethyl-, (1aR,2R,2aR,4aR,4bR,9bS,9cS)-, 3H,8H-Furo(2',3',4':4,5)oxireno(7,8)naphtho(2,1-c)pyran-3,8-dione, 6-ethyl-1aalpha,2,2a,4abeta,4bbeta,5,9b,9calpha-octahydro-2alpha-hydroxy-2abeta,9balpha-dimethyl-, (+)-
| Molecular Formula | C18H20O6 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 0.7058 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.12598 |
| Heavy Atoms | 24 |
| Complexity | 827.28815 |
Chemical Identifiers
| CAS Number | 19891-53-3 |
|---|---|
| SMILES | CCC1=C2C[C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C |
Product Overview
Nagilactone D (CAS 19891-53-3), with molecular formula C18H20O6 and molecular weight 332.13 g/mol. IUPAC: (1S,2S,4R,5R,6R,9R,17R)-12-ethyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione.
Chemical Property Profile of Nagilactone D
Property Insights of Nagilactone D
The XLogP value of 0.7058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nagilactone D. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Nagilactone D. Following Lipinski's Rule of Five, Nagilactone D 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 D?
The CAS number of Nagilactone D is 19891-53-3.
What is the molecular formula of Nagilactone D?
The molecular formula of Nagilactone D is C18H20O6.
What is the molecular weight of Nagilactone D?
The molecular weight of Nagilactone D is 332.13 g/mol.
Where can I buy Nagilactone D?
You can request a quote for Nagilactone D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nagilactone D?
Yes, KEHONG BIO provides custom synthesis services for Nagilactone D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.