菜豆酮
TL;DR: 菜豆酮 (CAS 85431-69-2) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菜豆酮
1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-4,5,7,7b-tetrahydronaphtho[1,2-b]oxirene-2,6-dione
Also Known As: Phaseolinone ketone, Naphth(1,2-b)oxiren-2,6-dione, 1a,4,5,7,7a,7b-hexahydro-1a-(2-(hydroxymethyl)oxiranyl)-7,7a-dimethyl-, 1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-1a,4,5,7,7a,7b-hexahydronaphtho[1,2-b]oxirene-2,6-dione, 1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-4,5,7,7b-tetrahydronaphtho[1,2-b]oxirene-2,6-dione
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 85431-69-2 |
|---|---|
| SMILES | CC1C(=O)CCC2=CC(=O)C3(C(C12C)O3)C4(CO4)CO |
| InChIKey | ATJHYSNIAGLJAX-UHFFFAOYSA-N |
Product Overview
菜豆酮 (CAS 85431-69-2), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-4,5,7,7b-tetrahydronaphtho[1,2-b]oxirene-2,6-dione.
Chemical Property Profile of 菜豆酮
Property Insights of 菜豆酮
The XLogP value of -0.8 indicates that 菜豆酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 菜豆酮. Following Lipinski's Rule of Five, 菜豆酮 has 1 hydrogen bond donor(s) and 5 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 菜豆酮?
The CAS number of 菜豆酮 is 85431-69-2.
What is the molecular formula of 菜豆酮?
The molecular formula of 菜豆酮 is C15H18O5.
What is the molecular weight of 菜豆酮?
The molecular weight of 菜豆酮 is 278.12 g/mol.
Where can I buy 菜豆酮?
You can request a quote for 菜豆酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菜豆酮?
Yes, KEHONG BIO provides custom synthesis services for 菜豆酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.