2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile (CAS 391868-03-4) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile
Also Known As: 2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-(2,6-dimethoxyphenyl)-3-oxopropanenitrile
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 391868-03-4 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=C(C#N)C2=NC3=CC=CC=C3N2)O |
| InChIKey | NZVUFVMWTPPPHI-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile (CAS 391868-03-4), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile has 2 hydrogen bond donor(s) and 5 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-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile is 391868-03-4.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile is C18H15N3O3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile is 321.11 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.