Aurantiamine
TL;DR: Aurantiamine (CAS 1214872-70-4) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
Also Known As: Aurantiamine, MEGxm0_000063, ACon0_000468, ACon1_000799, (3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 1.4848 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 640.3259 |
Chemical Identifiers
| CAS Number | 1214872-70-4 |
|---|---|
| SMILES | CC(C)C1C(=O)N/C(=C\C2=C(NC=N2)C(C)(C)C=C)/C(=O)N1 |
Product Overview
Aurantiamine (CAS 1214872-70-4), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: (3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione.
Chemical Property Profile of Aurantiamine
Property Insights of Aurantiamine
The XLogP value of 1.4848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aurantiamine. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Aurantiamine. Following Lipinski's Rule of Five, Aurantiamine has 3 hydrogen bond donor(s) and 3 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 Aurantiamine?
The CAS number of Aurantiamine is 1214872-70-4.
What is the molecular formula of Aurantiamine?
The molecular formula of Aurantiamine is C16H22N4O2.
What is the molecular weight of Aurantiamine?
The molecular weight of Aurantiamine is 302.17 g/mol.
Where can I buy Aurantiamine?
You can request a quote for Aurantiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aurantiamine?
Yes, KEHONG BIO provides custom synthesis services for Aurantiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.