N-Urocanylhistamine
TL;DR: N-Urocanylhistamine (CAS 53215-86-4) is a chemical compound with molecular formula C11H13N5O and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
Also Known As: N-Urocanylhistamine, (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide, 2-Propenamide, 3-(1H-imidazol-4-yl)-N-(2-(1H-imidazol-4-yl)ethyl)-, RefChem:164293
| Molecular Formula | C11H13N5O |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 0.5049 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.11201 |
| Heavy Atoms | 17 |
| Complexity | 471.94955 |
Chemical Identifiers
| CAS Number | 53215-86-4 |
|---|---|
| SMILES | C1=C(NC=N1)CCNC(=O)/C=C/C2=CN=CN2 |
Product Overview
N-Urocanylhistamine (CAS 53215-86-4), with molecular formula C11H13N5O and molecular weight 231.11 g/mol. IUPAC: (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide.
Chemical Property Profile of N-Urocanylhistamine
Property Insights of N-Urocanylhistamine
The XLogP value of 0.5049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Urocanylhistamine. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Urocanylhistamine. Following Lipinski's Rule of Five, N-Urocanylhistamine 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 N-Urocanylhistamine?
The CAS number of N-Urocanylhistamine is 53215-86-4.
What is the molecular formula of N-Urocanylhistamine?
The molecular formula of N-Urocanylhistamine is C11H13N5O.
What is the molecular weight of N-Urocanylhistamine?
The molecular weight of N-Urocanylhistamine is 231.11 g/mol.
Where can I buy N-Urocanylhistamine?
You can request a quote for N-Urocanylhistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Urocanylhistamine?
Yes, KEHONG BIO provides custom synthesis services for N-Urocanylhistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.