Nubilactone A
TL;DR: Nubilactone A (CAS 41653-86-5) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-hydroxy-1,6-dimethyl-7,14-dioxo-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-dien-12-yl)propanoate
Also Known As: NUBILACTONE A, Methyl 2-(2-hydroxy-2a,9b-dimethyl-3,8-dioxo-1a,2a,4a,4b,6,8,9b,9c-octahydro-2H,3H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-6-yl)propanoate
| Molecular Formula | C20H22O8 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.13147 |
| Heavy Atoms | 28 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 41653-86-5 |
|---|---|
| SMILES | CC(C1C2=CC3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)C(=O)OC |
| InChIKey | WJTAQUCBJLHAPR-UHFFFAOYSA-N |
Product Overview
Nubilactone A (CAS 41653-86-5), with molecular formula C20H22O8 and molecular weight 390.13 g/mol. IUPAC: methyl 2-(5-hydroxy-1,6-dimethyl-7,14-dioxo-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-dien-12-yl)propanoate.
Chemical Property Profile of Nubilactone A
Property Insights of Nubilactone A
The XLogP value of -0.1 indicates that Nubilactone A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nubilactone A. Following Lipinski's Rule of Five, Nubilactone A 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 Nubilactone A?
The CAS number of Nubilactone A is 41653-86-5.
What is the molecular formula of Nubilactone A?
The molecular formula of Nubilactone A is C20H22O8.
What is the molecular weight of Nubilactone A?
The molecular weight of Nubilactone A is 390.13 g/mol.
Where can I buy Nubilactone A?
You can request a quote for Nubilactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nubilactone A?
Yes, KEHONG BIO provides custom synthesis services for Nubilactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.