2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester
TL;DR: 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester (CAS 89269-03-4) is a chemical compound with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (E)-3-(butylamino)-2-cyanoprop-2-enoate
Also Known As: 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester, Octyl (E)-3-butylamino-2-cyano-prop-2-enoate, octyl (E)-3-(butylamino)-2-cyanoprop-2-enoate
| Molecular Formula | C16H28N2O2 |
|---|---|
| Molecular Weight | 280.22 g/mol |
| LogP | 3.68728 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.2151 |
| Heavy Atoms | 20 |
| Complexity | 318.92877 |
Chemical Identifiers
| CAS Number | 89269-03-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)/C(=C/NCCCC)/C#N |
Product Overview
2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester (CAS 89269-03-4), with molecular formula C16H28N2O2 and molecular weight 280.22 g/mol. IUPAC: octyl (E)-3-(butylamino)-2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester
Property Insights of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester
The XLogP value of 3.68728 indicates that 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester 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 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester?
The CAS number of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester is 89269-03-4.
What is the molecular formula of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester?
The molecular formula of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester is C16H28N2O2.
What is the molecular weight of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester?
The molecular weight of 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester is 280.22 g/mol.
Where can I buy 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester?
You can request a quote for 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(butylamino)-2-cyano-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.