1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)
TL;DR: 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) (CAS 6170-26-9) is a chemical compound with molecular formula C18H24N2O6S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(4-aminophenyl)propan-1-one);sulfuric acid
Also Known As: p-Aminopropiophenone sulfate, Propiophenone, 4'-amino-, sulfate (2:1), 1-(4-Aminophenyl)-1-propanone sulfate (2:1), 1-(4-aminophenyl)propan-1-one sulfate, 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)
| Molecular Formula | C18H24N2O6S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.0702 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1355 |
| Heavy Atoms | 27 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 6170-26-9 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)N.CCC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)O |
| InChIKey | IMRXDUWCXOLCOD-UHFFFAOYSA-N |
Product Overview
1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) (CAS 6170-26-9), with molecular formula C18H24N2O6S and molecular weight 396.14 g/mol. IUPAC: bis(1-(4-aminophenyl)propan-1-one);sulfuric acid.
Chemical Property Profile of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)
Property Insights of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)
The XLogP value of 3.0702 indicates that 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) has 4 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 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)?
The CAS number of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) is 6170-26-9.
What is the molecular formula of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)?
The molecular formula of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) is C18H24N2O6S.
What is the molecular weight of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)?
The molecular weight of 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) is 396.14 g/mol.
Where can I buy 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)?
You can request a quote for 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(4-aminophenyl)-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.