(E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
TL;DR: (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 5614-24-4) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: BAS 00620188, AB00090550-01, AB00090550-03, 3-(3-hydroxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, A2181/0091653
| Molecular Formula | C17H13N3O |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.6411 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.10587 |
| Heavy Atoms | 21 |
| Complexity | 884.43176 |
Chemical Identifiers
| CAS Number | 5614-24-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=CC=C3)O)/C#N |
Product Overview
(E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (CAS 5614-24-4), with molecular formula C17H13N3O and molecular weight 275.11 g/mol. IUPAC: (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Property Insights of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
The XLogP value of 3.6411 indicates that (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile has 2 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 (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The CAS number of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 5614-24-4.
What is the molecular formula of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular formula of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is C17H13N3O.
What is the molecular weight of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
The molecular weight of (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile is 275.11 g/mol.
Where can I buy (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
You can request a quote for (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-hydroxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.