Phaseolinone diacetate
TL;DR: Phaseolinone diacetate (CAS 85431-72-7) is a chemical compound with molecular formula C19H24O7 and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1aS,6R,7R,7aR,7bR)-6-acetyloxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]oxiran-2-yl]methyl acetate
Also Known As: Phaseolinone diacetate, Naphth(1,2-b)oxiren-2(1aH)-one, 6-(acetyloxy)-1a-(2-((acetyloxy)methyl)oxiranyl)-4,5,6,7,7a,7b-hexahydro-7,7a-dimethyl-, [2-(6-acetyloxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)oxiran-2-yl]methyl acetate, [2-[(1aS,6R,7R,7aR,7bR)-6-acetyloxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]oxiran-2-yl]methyl acetate, {2-[(1aS,6R,7R,7aR,7bR)-6-(acetyloxy)-7,7a-dimethyl-2-oxo-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-1a(2H)-yl]oxiran-2-yl}methyl acetate
| Molecular Formula | C19H24O7 |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.1522 |
| Heavy Atoms | 26 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 85431-72-7 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C4(CO4)COC(=O)C)OC(=O)C |
| InChIKey | GBPWJOFICXRVRJ-KTDPSOHKSA-N |
Product Overview
Phaseolinone diacetate (CAS 85431-72-7), with molecular formula C19H24O7 and molecular weight 364.15 g/mol. IUPAC: [2-[(1aS,6R,7R,7aR,7bR)-6-acetyloxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]oxiran-2-yl]methyl acetate.
Chemical Property Profile of Phaseolinone diacetate
Property Insights of Phaseolinone diacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phaseolinone diacetate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaseolinone diacetate. Following Lipinski's Rule of Five, Phaseolinone diacetate has 0 hydrogen bond donor(s) and 7 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 Phaseolinone diacetate?
The CAS number of Phaseolinone diacetate is 85431-72-7.
What is the molecular formula of Phaseolinone diacetate?
The molecular formula of Phaseolinone diacetate is C19H24O7.
What is the molecular weight of Phaseolinone diacetate?
The molecular weight of Phaseolinone diacetate is 364.15 g/mol.
Where can I buy Phaseolinone diacetate?
You can request a quote for Phaseolinone diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaseolinone diacetate?
Yes, KEHONG BIO provides custom synthesis services for Phaseolinone diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.