Cinnamoylhistamine
TL;DR: Cinnamoylhistamine (CAS 53813-77-7) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
Also Known As: cinnamoylhistamine, N.alpha.-Cinnamoylhistamine, AT 493, n-[2-(1h-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide, 2-Propenamide, N-[2-(1H-imidazol-4-yl)ethyl]-3-phenyl-, (E)-
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 53813-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)NCCC2=CN=CN2 |
| InChIKey | HCENGXRZXKAJLN-UHFFFAOYSA-N |
Product Overview
Cinnamoylhistamine (CAS 53813-77-7), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide.
Chemical Property Profile of Cinnamoylhistamine
Property Insights of Cinnamoylhistamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamoylhistamine. With a topological polar surface area (TPSA) of 57.8 Ų, Cinnamoylhistamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamoylhistamine has 2 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 Cinnamoylhistamine?
The CAS number of Cinnamoylhistamine is 53813-77-7.
What is the molecular formula of Cinnamoylhistamine?
The molecular formula of Cinnamoylhistamine is C14H15N3O.
What is the molecular weight of Cinnamoylhistamine?
The molecular weight of Cinnamoylhistamine is 241.12 g/mol.
Where can I buy Cinnamoylhistamine?
You can request a quote for Cinnamoylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamoylhistamine?
Yes, KEHONG BIO provides custom synthesis services for Cinnamoylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.