N-(2-ethoxyphenyl)-2-butenediamide
TL;DR: N-(2-ethoxyphenyl)-2-butenediamide (CAS 1164532-29-9) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N'-(2-ethoxyphenyl)but-2-enediamide
Also Known As: N-(2-ethoxyphenyl)-2-butenediamide, N1-(2-ethoxyphenyl)fumaramide, (E)-N'-(2-ethoxyphenyl)but-2-enediamide, (E)-N''-o-phenetylbut-2-enediamide, IDI1_008361
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 1164532-29-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)/C=C/C(=O)N |
| InChIKey | NIYSMGBUVLHAMN-BQYQJAHWSA-N |
Product Overview
N-(2-ethoxyphenyl)-2-butenediamide (CAS 1164532-29-9), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: (E)-N'-(2-ethoxyphenyl)but-2-enediamide.
Chemical Property Profile of N-(2-ethoxyphenyl)-2-butenediamide
Property Insights of N-(2-ethoxyphenyl)-2-butenediamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-ethoxyphenyl)-2-butenediamide. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-ethoxyphenyl)-2-butenediamide. Following Lipinski's Rule of Five, N-(2-ethoxyphenyl)-2-butenediamide 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 N-(2-ethoxyphenyl)-2-butenediamide?
The CAS number of N-(2-ethoxyphenyl)-2-butenediamide is 1164532-29-9.
What is the molecular formula of N-(2-ethoxyphenyl)-2-butenediamide?
The molecular formula of N-(2-ethoxyphenyl)-2-butenediamide is C12H14N2O3.
What is the molecular weight of N-(2-ethoxyphenyl)-2-butenediamide?
The molecular weight of N-(2-ethoxyphenyl)-2-butenediamide is 234.10 g/mol.
Where can I buy N-(2-ethoxyphenyl)-2-butenediamide?
You can request a quote for N-(2-ethoxyphenyl)-2-butenediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-ethoxyphenyl)-2-butenediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-ethoxyphenyl)-2-butenediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.