Butyl 2-cyano-3-(decylamino)prop-2-enoate
TL;DR: Butyl 2-cyano-3-(decylamino)prop-2-enoate (CAS 89269-01-2) is a chemical compound with molecular formula C18H32N2O2 and molecular weight 308.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-cyano-3-(decylamino)prop-2-enoate
Also Known As: butyl 2-cyano-3-(decylamino)prop-2-enoate, Butyl (E)-2-cyano-3-(decylamino)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(decylamino)-, butyl ester
| Molecular Formula | C18H32N2O2 |
|---|---|
| Molecular Weight | 308.25 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 308.24637 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 89269-01-2 |
|---|---|
| SMILES | CCCCCCCCCCNC=C(C#N)C(=O)OCCCC |
| InChIKey | HOBGOWPECBTRDB-UHFFFAOYSA-N |
Product Overview
Butyl 2-cyano-3-(decylamino)prop-2-enoate (CAS 89269-01-2), with molecular formula C18H32N2O2 and molecular weight 308.25 g/mol. IUPAC: butyl 2-cyano-3-(decylamino)prop-2-enoate.
Chemical Property Profile of Butyl 2-cyano-3-(decylamino)prop-2-enoate
Property Insights of Butyl 2-cyano-3-(decylamino)prop-2-enoate
The XLogP value of 6.6 indicates that Butyl 2-cyano-3-(decylamino)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 Butyl 2-cyano-3-(decylamino)prop-2-enoate. Following Lipinski's Rule of Five, Butyl 2-cyano-3-(decylamino)prop-2-enoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 2-cyano-3-(decylamino)prop-2-enoate?
The CAS number of Butyl 2-cyano-3-(decylamino)prop-2-enoate is 89269-01-2.
What is the molecular formula of Butyl 2-cyano-3-(decylamino)prop-2-enoate?
The molecular formula of Butyl 2-cyano-3-(decylamino)prop-2-enoate is C18H32N2O2.
What is the molecular weight of Butyl 2-cyano-3-(decylamino)prop-2-enoate?
The molecular weight of Butyl 2-cyano-3-(decylamino)prop-2-enoate is 308.25 g/mol.
Where can I buy Butyl 2-cyano-3-(decylamino)prop-2-enoate?
You can request a quote for Butyl 2-cyano-3-(decylamino)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 Butyl 2-cyano-3-(decylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-cyano-3-(decylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.