![3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile structure](/static/products/5526/5526-78-3.webp)
3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
TL;DR: 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 5526-78-3) is a chemical compound with molecular formula C24H28N4O and molecular weight 388.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, (Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, (2Z)-3-{4-(Diethylamino)-2-[(propan-2-yl)oxy]phenyl}-2-(6-methyl-1H-1,3-benzimidazol-2-yl)prop-2-enenitrile, (Z)-3-(4-DIETHYLAMINO-2-ISOPROPOXY-PHENYL)-2-(5-METHYL-1H-BENZIMIDAZOL-2-YL)-ACRYLONITRILE, (Z)-3-[4-(diethylamino)-2-isopropoxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile
| Molecular Formula | C24H28N4O |
|---|---|
| Molecular Weight | 388.23 g/mol |
| LogP | 5.5689 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.22632 |
| Heavy Atoms | 29 |
| Complexity | 1068.1644 |
Chemical Identifiers
| CAS Number | 5526-78-3 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)OC(C)C |
Product Overview
3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 5526-78-3), with molecular formula C24H28N4O and molecular weight 388.23 g/mol. IUPAC: (Z)-3-[4-(diethylamino)-2-propan-2-yloxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
Property Insights of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
The XLogP value of 5.5689 indicates that 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The CAS number of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 5526-78-3.
What is the molecular formula of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular formula of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is C24H28N4O.
What is the molecular weight of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular weight of 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 388.23 g/mol.
Where can I buy 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
You can request a quote for 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(diethylamino)-2-isopropoxyphenyl]-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.