Methyl 2-cyano-3-(octylamino)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(octylamino)prop-2-enoate (CAS 89268-88-2) is a chemical compound with molecular formula C13H22N2O2 and molecular weight 238.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(octylamino)prop-2-enoate
Also Known As: Methyl (E)-2-cyano-3-(octylamino)prop-2-enoate
| Molecular Formula | C13H22N2O2 |
|---|---|
| Molecular Weight | 238.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 238.16812 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 89268-88-2 |
|---|---|
| SMILES | CCCCCCCCNC=C(C#N)C(=O)OC |
| InChIKey | DGFXCAQRIKJOQG-UHFFFAOYSA-N |
Product Overview
Methyl 2-cyano-3-(octylamino)prop-2-enoate (CAS 89268-88-2), with molecular formula C13H22N2O2 and molecular weight 238.17 g/mol. IUPAC: methyl 2-cyano-3-(octylamino)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(octylamino)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(octylamino)prop-2-enoate
The XLogP value of 4.2 indicates that Methyl 2-cyano-3-(octylamino)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(octylamino)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(octylamino)prop-2-enoate 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 Methyl 2-cyano-3-(octylamino)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(octylamino)prop-2-enoate is 89268-88-2.
What is the molecular formula of Methyl 2-cyano-3-(octylamino)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(octylamino)prop-2-enoate is C13H22N2O2.
What is the molecular weight of Methyl 2-cyano-3-(octylamino)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(octylamino)prop-2-enoate is 238.17 g/mol.
Where can I buy Methyl 2-cyano-3-(octylamino)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(octylamino)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-(octylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(octylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.