Betaenone B
TL;DR: Betaenone B (CAS 85269-23-4) is a chemical compound with molecular formula C21H36O5 and molecular weight 368.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one
Also Known As: BETAENONE B, 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-, (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one, (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one, (2S,3R,4R,4AS,5R,7R,8AS)-3-[(2R)-BUTAN-2-YL]-2,7-DIHYDROXY-4-(3-HYDROXYPROPANOYL)-2,4,5,7-TETRAMETHYL-DECAHYDRONAPHTHALEN-1-ONE
| Molecular Formula | C21H36O5 |
|---|---|
| Molecular Weight | 368.26 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.2563 |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 85269-23-4 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)CCO |
| InChIKey | PUZNAAVWFXQUDM-HBKHSIGZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Betaenone B (CAS 85269-23-4), with molecular formula C21H36O5 and molecular weight 368.26 g/mol. IUPAC: (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one.
Chemical Property Profile of Betaenone B
Property Insights of Betaenone B
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betaenone B. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Betaenone B. Following Lipinski's Rule of Five, Betaenone B has 3 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 Betaenone B?
The CAS number of Betaenone B is 85269-23-4.
What is the molecular formula of Betaenone B?
The molecular formula of Betaenone B is C21H36O5.
What is the molecular weight of Betaenone B?
The molecular weight of Betaenone B is 368.26 g/mol.
Where can I buy Betaenone B?
You can request a quote for Betaenone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betaenone B?
Yes, KEHONG BIO provides custom synthesis services for Betaenone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.