3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
TL;DR: 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 331971-31-4) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: BAS 00717877, 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile, A2175/0091364, (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, (2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 4.7313 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 1009.75836 |
Chemical Identifiers
| CAS Number | 331971-31-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OC(C)C)OC)/C#N |
Product Overview
3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile (CAS 331971-31-4), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
Property Insights of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile
The XLogP value of 4.7313 indicates that 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 4 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 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The CAS number of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 331971-31-4.
What is the molecular formula of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular formula of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is C21H21N3O2.
What is the molecular weight of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
The molecular weight of 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile is 347.16 g/mol.
Where can I buy 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
You can request a quote for 3-(4-isopropoxy-3-methoxyphenyl)-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-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-isopropoxy-3-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.