4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt
TL;DR: 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt (CAS 70412-92-9) is a chemical compound with molecular formula C20H20K2O11S and molecular weight 546.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]-2-sulfonatobutanoate
Also Known As: 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt, Butanoic acid, 4-(3,5-dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfo-, potassium salt, dipotassium 4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]-2-sulfonatobutanoate
| Molecular Formula | C20H20K2O11S |
|---|---|
| Molecular Weight | 546.00 g/mol |
| LogP | -5.9319 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.00006 |
| Heavy Atoms | 34 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 70412-92-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OCCC(C(=O)[O-])S(=O)(=O)[O-])O)O.[K+].[K+] |
| InChIKey | GVXUIRVEMMIJCZ-UHFFFAOYSA-L |
Product Overview
4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt (CAS 70412-92-9), with molecular formula C20H20K2O11S and molecular weight 546.00 g/mol. IUPAC: dipotassium;4-[3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenoxy]-2-sulfonatobutanoate.
Chemical Property Profile of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt
Property Insights of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt
The XLogP value of -5.9319 indicates that 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt?
The CAS number of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt is 70412-92-9.
What is the molecular formula of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt?
The molecular formula of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt is C20H20K2O11S.
What is the molecular weight of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt?
The molecular weight of 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt is 546.00 g/mol.
Where can I buy 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt?
You can request a quote for 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dihydroxy-4-(3-(3-hydroxy-4-methoxyphenyl)-1-oxopropyl)phenoxy)-2-sulfobutanoic acid potassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.