Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate
TL;DR: Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate (CAS 13076-10-3) is a chemical compound with molecular formula C11H17NO7S and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone;sulfuric acid
Also Known As: Isoprenalone hydrogen sulfate, Isoproterenone hydrogen sulfate, EINECS 248-613-4, C11H15NO3.1/2H2O4S, C11-H15-N-O3.1/2H2-O4-S
| Molecular Formula | C11H17NO7S |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 0.6257 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.07257 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 13076-10-3 |
|---|---|
| SMILES | CC(C)NCC(=O)C1=CC(=C(C=C1)O)O.OS(=O)(=O)O |
| InChIKey | MFAZYWHKZJBEDE-UHFFFAOYSA-N |
Product Overview
Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate (CAS 13076-10-3), with molecular formula C11H17NO7S and molecular weight 307.07 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone;sulfuric acid.
Chemical Property Profile of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate
Property Insights of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate
The XLogP value of 0.6257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate. The TPSA of 153.0 Ų indicates high polarity, suggesting Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate 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 Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate?
The CAS number of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate is 13076-10-3.
What is the molecular formula of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate?
The molecular formula of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate is C11H17NO7S.
What is the molecular weight of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate?
The molecular weight of Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate is 307.07 g/mol.
Where can I buy Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate?
You can request a quote for Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate?
Yes, KEHONG BIO provides custom synthesis services for Bis((2-(3,4-dihydroxyphenyl)-2-oxoethyl)isopropylammonium) sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.