Acetophenone, 2-(butylamino)-3',4'-dihydroxy-
TL;DR: Acetophenone, 2-(butylamino)-3',4'-dihydroxy- (CAS 33406-44-9) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 2-(Butylamino)-3',4'-dihydroxyacetophenone, 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone, ACETOPHENONE, 2-(BUTYLAMINO)-3',4'-DIHYDROXY-, 6-Lactoyl-5,6,7,8-tetrahydropterin, Ethanone, 2-(butylamino)-1-(3,4-dihydroxyphenyl)-
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 33406-44-9 |
|---|---|
| SMILES | CCCCNCC(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | LSBYTACKGLHMBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetophenone, 2-(butylamino)-3',4'-dihydroxy- (CAS 33406-44-9), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of Acetophenone, 2-(butylamino)-3',4'-dihydroxy-
Property Insights of Acetophenone, 2-(butylamino)-3',4'-dihydroxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 2-(butylamino)-3',4'-dihydroxy-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-(butylamino)-3',4'-dihydroxy-. Following Lipinski's Rule of Five, Acetophenone, 2-(butylamino)-3',4'-dihydroxy- has 3 hydrogen bond donor(s) and 4 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 Acetophenone, 2-(butylamino)-3',4'-dihydroxy-?
The CAS number of Acetophenone, 2-(butylamino)-3',4'-dihydroxy- is 33406-44-9.
What is the molecular formula of Acetophenone, 2-(butylamino)-3',4'-dihydroxy-?
The molecular formula of Acetophenone, 2-(butylamino)-3',4'-dihydroxy- is C12H17NO3.
What is the molecular weight of Acetophenone, 2-(butylamino)-3',4'-dihydroxy-?
The molecular weight of Acetophenone, 2-(butylamino)-3',4'-dihydroxy- is 223.12 g/mol.
Where can I buy Acetophenone, 2-(butylamino)-3',4'-dihydroxy-?
You can request a quote for Acetophenone, 2-(butylamino)-3',4'-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-(butylamino)-3',4'-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-(butylamino)-3',4'-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.