(Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile
TL;DR: (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile (CAS 367476-90-2) is a chemical compound with molecular formula C20H14BrN3O2 and molecular weight 407.03 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-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile
Also Known As: (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile, (2Z)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
| Molecular Formula | C20H14BrN3O2 |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 4.41018 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.02695 |
| Heavy Atoms | 26 |
| Complexity | 1037.8303 |
Chemical Identifiers
| CAS Number | 367476-90-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)Br)OCC#C |
Product Overview
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile (CAS 367476-90-2), with molecular formula C20H14BrN3O2 and molecular weight 407.03 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile
Property Insights of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile
The XLogP value of 4.41018 indicates that (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile 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 (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)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 (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile?
The CAS number of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile is 367476-90-2.
What is the molecular formula of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile?
The molecular formula of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile is C20H14BrN3O2.
What is the molecular weight of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile?
The molecular weight of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile is 407.03 g/mol.
Where can I buy (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile?
You can request a quote for (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)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 (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.