3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
TL;DR: 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (CAS 476279-66-0) 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.
3-(4-butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Also Known As: 3-(4-butoxyphenyl)-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxopropanenitrile
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 4.70208 |
| Topological Polar Surface Area | 71.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 978.654 |
Chemical Identifiers
| CAS Number | 476279-66-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=C(C#N)C2=NC3=CC=CC=C3N2C)O |
Product Overview
3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (CAS 476279-66-0), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 3-(4-butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Property Insights of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
The XLogP value of 4.70208 indicates that 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile 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-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile?
The CAS number of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile is 476279-66-0.
What is the molecular formula of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile?
The molecular formula of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile is C21H21N3O2.
What is the molecular weight of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile?
The molecular weight of 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile is 347.16 g/mol.
Where can I buy 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile?
You can request a quote for 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-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 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxyphenyl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.