Sarothralin
TL;DR: Sarothralin (CAS 96624-40-7) is a chemical compound with molecular formula C31H34O8 and molecular weight 534.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Also Known As: Sarothralin, onin c, 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, 2,4-Dihydroxy-6-(3-methyl-2-butenyloxy)-3-(2,4-dihydroxy-3,3-dimethyl-5-isobutyryl-6-oxo-1,4-cyclohexadiene-1-ylmethyl)benzophenone, 2-({3-benzoyl-2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,5-dihydroxy-4,4-dimethyl-6-(2-methylpropanoyl)cyclohexa-2,5-dien-1-one
| Molecular Formula | C31H34O8 |
|---|---|
| Molecular Weight | 534.23 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.22534 |
| Heavy Atoms | 39 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 96624-40-7 |
|---|---|
| SMILES | CC(C)C(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C=C2O)OCC=C(C)C)C(=O)C3=CC=CC=C3)O)O |
| InChIKey | CTSAWQOSUXMFIZ-UHFFFAOYSA-N |
Product Overview
Sarothralin (CAS 96624-40-7), with molecular formula C31H34O8 and molecular weight 534.23 g/mol. IUPAC: 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Sarothralin
Property Insights of Sarothralin
The XLogP value of 6.3 indicates that Sarothralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Sarothralin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sarothralin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sarothralin?
The CAS number of Sarothralin is 96624-40-7.
What is the molecular formula of Sarothralin?
The molecular formula of Sarothralin is C31H34O8.
What is the molecular weight of Sarothralin?
The molecular weight of Sarothralin is 534.23 g/mol.
Where can I buy Sarothralin?
You can request a quote for Sarothralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sarothralin?
Yes, KEHONG BIO provides custom synthesis services for Sarothralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.