2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile (CAS 301312-90-3) is a chemical compound with molecular formula C16H10IN3O and molecular weight 386.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile
Also Known As: BAS 00417097, AF-399/36461009, 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile, (2Z)-2-benzimidazol-2-yl-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile, (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile
| Molecular Formula | C16H10IN3O |
|---|---|
| Molecular Weight | 386.99 g/mol |
| LogP | 4.11738 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.98685 |
| Heavy Atoms | 21 |
| Complexity | 839.4235 |
Chemical Identifiers
| CAS Number | 301312-90-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C(/C3=CC=C(C=C3)I)\O)/C#N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile (CAS 301312-90-3), with molecular formula C16H10IN3O and molecular weight 386.99 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile
The XLogP value of 4.11738 indicates that 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile 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 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile 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 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile is 301312-90-3.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile is C16H10IN3O.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile is 386.99 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile 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-hydroxy-3-(4-iodophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.