2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-
TL;DR: 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- (CAS 36998-72-8) is a chemical compound with molecular formula C15H11N3O and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one
Also Known As: 1-(1H-Benzimidazol-2-yl)-3-(3-pyridinyl)-2-propen-1-one, 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-, (E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one, RefChem:1064337
| Molecular Formula | C15H11N3O |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.854 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09021 |
| Heavy Atoms | 19 |
| Complexity | 711.1864 |
Chemical Identifiers
| CAS Number | 36998-72-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CN=CC=C3 |
Product Overview
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- (CAS 36998-72-8), with molecular formula C15H11N3O and molecular weight 249.09 g/mol. IUPAC: (E)-1-(1H-benzimidazol-2-yl)-3-pyridin-3-ylprop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-
Property Insights of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-
The XLogP value of 2.854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-. With a topological polar surface area (TPSA) of 58.64 Ų, 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- has 1 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 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-?
The CAS number of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- is 36998-72-8.
What is the molecular formula of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-?
The molecular formula of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- is C15H11N3O.
What is the molecular weight of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-?
The molecular weight of 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- is 249.09 g/mol.
Where can I buy 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-?
You can request a quote for 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.