![(2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide structure](/static/products/845/845985-99-1.png)
(2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
TL;DR: (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide (CAS 845985-99-1) is a chemical compound with molecular formula C29H26N4O5 and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]prop-2-enamide
Also Known As: (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide, (Z)-N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-3-(benzo[d][1,3]dioxol-5-yl)-2-((E)-3-(4-methoxyphenyl)acrylamido)acrylamide, (Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]prop-2-enamide
| Molecular Formula | C29H26N4O5 |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 3.8296 |
| Topological Polar Surface Area | 114.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.1903 |
| Heavy Atoms | 38 |
| Complexity | 1488.7706 |
Chemical Identifiers
| CAS Number | 845985-99-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NCCC4=NC5=CC=CC=C5N4 |
Product Overview
(2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide (CAS 845985-99-1), with molecular formula C29H26N4O5 and molecular weight 510.19 g/mol. IUPAC: (Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]prop-2-enamide.
Chemical Property Profile of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
Property Insights of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
The XLogP value of 3.8296 indicates that (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide. Following Lipinski's Rule of Five, (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide?
The CAS number of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide is 845985-99-1.
What is the molecular formula of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide?
The molecular formula of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide is C29H26N4O5.
What is the molecular weight of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide?
The molecular weight of (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide is 510.19 g/mol.
Where can I buy (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide?
You can request a quote for (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.