Phaseolinone tetrol
TL;DR: Phaseolinone tetrol (CAS 85431-66-9) is a chemical compound with molecular formula C15H22O6 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Also Known As: Phaseolinone tetrol, Naphth(1,2-b)oxiren-2(1aH)-one, 1a-(1,2-dihydroxy-1-(hydroxymethyl)ethyl)-4,5,6,7,7a,7b-hexahydro-6-hydroxy-7,7a-dimethyl-, (1aS-(1aalpha,6beta,7alpha,7aalpha,7balpha))-, (1aS,6R,7R,7aR,7bR)-6-Hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one, (1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one, 6-Hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one
| Molecular Formula | C15H22O6 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.14163 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 85431-66-9 |
|---|---|
| SMILES | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(CO)(CO)O)O |
| InChIKey | NCJQNKNVHYNIBM-VZWBLRPGSA-N |
Product Overview
Phaseolinone tetrol (CAS 85431-66-9), with molecular formula C15H22O6 and molecular weight 298.14 g/mol. IUPAC: (1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one.
Chemical Property Profile of Phaseolinone tetrol
Property Insights of Phaseolinone tetrol
The XLogP value of -1.0 indicates that Phaseolinone tetrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phaseolinone tetrol. Following Lipinski's Rule of Five, Phaseolinone tetrol has 4 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 Phaseolinone tetrol?
The CAS number of Phaseolinone tetrol is 85431-66-9.
What is the molecular formula of Phaseolinone tetrol?
The molecular formula of Phaseolinone tetrol is C15H22O6.
What is the molecular weight of Phaseolinone tetrol?
The molecular weight of Phaseolinone tetrol is 298.14 g/mol.
Where can I buy Phaseolinone tetrol?
You can request a quote for Phaseolinone tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phaseolinone tetrol?
Yes, KEHONG BIO provides custom synthesis services for Phaseolinone tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.