Phuklona sulfate
TL;DR: Phuklona sulfate (CAS 444987-63-7) is a chemical compound with molecular formula C36H58O8S and molecular weight 650.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Phuklona sulfate
[3-[[5-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-1-hydroxy-3,3,5-trimethyl-2-bicyclo[2.2.2]octanyl]methyl]-4-hydroxyphenyl] hydrogen sulfate
Also Known As: Phuklona sulfate, J1.708.140C, (3-((5-(3-((5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo(b)oxepin-6-yl)propyl)-1-hydroxy-3,3,5-trimethyl-2-bicyclo(2.2.2)octanyl)methyl)-4-hydroxyphenyl) hydrogen sulfate, (5aR,9abeta)-2,2,5aalpha,7beta-Tetramethyl-6-[4-[2,6,6-trimethyl-4-hydroxy-5-[2-hydroxy-5-(sulfooxy)benzyl]bicyclo[2.2.2]octane-2-yl]butyl]decahydro-1-benzoxepin-6beta-ol, [3-[[2-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-4-hydroxy-2,6,6-trimethyl-5-bicyclo[2.2.2]octanyl]methyl]-4-hydroxyphenyl] hydrogen sulfate
| Molecular Formula | C36H58O8S |
|---|---|
| Molecular Weight | 650.39 g/mol |
| LogP | 7.3852 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 650.38525 |
| Heavy Atoms | 45 |
| Complexity | 1353.7418 |
Chemical Identifiers
| CAS Number | 444987-63-7 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@]([C@@]1(CCCCC3(CC4(CCC3C(C4CC5=C(C=CC(=C5)OS(=O)(=O)O)O)(C)C)O)C)O)(CCCC(O2)(C)C)C |
Product Overview
Phuklona sulfate (CAS 444987-63-7), with molecular formula C36H58O8S and molecular weight 650.39 g/mol. IUPAC: [3-[[5-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-1-hydroxy-3,3,5-trimethyl-2-bicyclo[2.2.2]octanyl]methyl]-4-hydroxyphenyl] hydrogen sulfate.
Chemical Property Profile of Phuklona sulfate
Property Insights of Phuklona sulfate
The XLogP value of 7.3852 indicates that Phuklona sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Phuklona sulfate. Following Lipinski's Rule of Five, Phuklona sulfate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phuklona sulfate?
The CAS number of Phuklona sulfate is 444987-63-7.
What is the molecular formula of Phuklona sulfate?
The molecular formula of Phuklona sulfate is C36H58O8S.
What is the molecular weight of Phuklona sulfate?
The molecular weight of Phuklona sulfate is 650.39 g/mol.
Where can I buy Phuklona sulfate?
You can request a quote for Phuklona sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phuklona sulfate?
Yes, KEHONG BIO provides custom synthesis services for Phuklona sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.