Saroaspidin B
TL;DR: Saroaspidin B (CAS 112663-68-0) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one
Also Known As: Saroaspidin B, 3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one, 3,5-dihydroxy-2-isobutyryl-4,4-dimethyl-6-(2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)benzyl)cyclohexa-2,5-dien-1-one, 3,5-Dihydroxy-4,4-dimethyl-2-(2-methyl-1-oxopropyl)-6-((2,4,6-trihydroxy-3-methyl-5-(2-methyl-1-oxobutyl)phenyl)methyl)-2,5-cyclohexadien-1-one, 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(2-methyl-1-oxopropyl)-6-((2,4,6-trihydroxy-3-methyl-5-(2-methyl-1-oxobutyl)phenyl)methyl)-
| Molecular Formula | C25H32O8 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.34132 |
| Topological Polar Surface Area | 152.36 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.20972 |
| Heavy Atoms | 33 |
| Complexity | 1102.139 |
Chemical Identifiers
| CAS Number | 112663-68-0 |
|---|---|
| SMILES | CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O |
Product Overview
Saroaspidin B (CAS 112663-68-0), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: 3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Saroaspidin B
Property Insights of Saroaspidin B
The XLogP value of 4.34132 indicates that Saroaspidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.36 Ų indicates high polarity, suggesting Saroaspidin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saroaspidin B has 5 hydrogen bond donor(s) and 8 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 Saroaspidin B?
The CAS number of Saroaspidin B is 112663-68-0.
What is the molecular formula of Saroaspidin B?
The molecular formula of Saroaspidin B is C25H32O8.
What is the molecular weight of Saroaspidin B?
The molecular weight of Saroaspidin B is 460.21 g/mol.
Where can I buy Saroaspidin B?
You can request a quote for Saroaspidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saroaspidin B?
Yes, KEHONG BIO provides custom synthesis services for Saroaspidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.