Histamine, N-benzoyl-
TL;DR: Histamine, N-benzoyl- (CAS 29677-71-2) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 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]benzamide
Also Known As: N-benzoylhistamine, Histamine, N-benzoyl-, Nomega-Benzoylhistamine, N-[2-(4-Imidazolyl)ethyl]benzamide, N-[2-(1H-imidazol-5-yl)ethyl]benzamide
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 29677-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCC2=CN=CN2 |
| InChIKey | DAUCLDROLUGJDY-UHFFFAOYSA-N |
Product Overview
Histamine, N-benzoyl- (CAS 29677-71-2), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
Chemical Property Profile of Histamine, N-benzoyl-
Property Insights of Histamine, N-benzoyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Histamine, N-benzoyl-. With a topological polar surface area (TPSA) of 57.8 Ų, Histamine, N-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Histamine, N-benzoyl- 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 Histamine, N-benzoyl-?
The CAS number of Histamine, N-benzoyl- is 29677-71-2.
What is the molecular formula of Histamine, N-benzoyl-?
The molecular formula of Histamine, N-benzoyl- is C12H13N3O.
What is the molecular weight of Histamine, N-benzoyl-?
The molecular weight of Histamine, N-benzoyl- is 215.11 g/mol.
Where can I buy Histamine, N-benzoyl-?
You can request a quote for Histamine, N-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histamine, N-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for Histamine, N-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.