Crotonophenone, 3-amino-
TL;DR: Crotonophenone, 3-amino- (CAS 1128-85-4) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-amino-1-phenylbut-2-en-1-one
Also Known As: Crotonophenone, 3-amino-, (2Z)-3-amino-1-phenylbut-2-en-1-one, APBO, 3-(amino) crotonophenone, 3-amino-1-phenyl-2-buten-1-one
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.7318 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 296.87442 |
Chemical Identifiers
| CAS Number | 1128-85-4 |
|---|---|
| SMILES | C/C(=C/C(=O)C1=CC=CC=C1)/N |
Product Overview
Crotonophenone, 3-amino- (CAS 1128-85-4), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: (Z)-3-amino-1-phenylbut-2-en-1-one.
Chemical Property Profile of Crotonophenone, 3-amino-
Property Insights of Crotonophenone, 3-amino-
The XLogP value of 1.7318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonophenone, 3-amino-. With a topological polar surface area (TPSA) of 43.09 Ų, Crotonophenone, 3-amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonophenone, 3-amino- has 1 hydrogen bond donor(s) and 2 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 Crotonophenone, 3-amino-?
The CAS number of Crotonophenone, 3-amino- is 1128-85-4.
What is the molecular formula of Crotonophenone, 3-amino-?
The molecular formula of Crotonophenone, 3-amino- is C10H11NO.
What is the molecular weight of Crotonophenone, 3-amino-?
The molecular weight of Crotonophenone, 3-amino- is 161.08 g/mol.
Where can I buy Crotonophenone, 3-amino-?
You can request a quote for Crotonophenone, 3-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 3-amino-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 3-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.