Pentyl 2-cyano-3-(decylamino)prop-2-enoate
TL;DR: Pentyl 2-cyano-3-(decylamino)prop-2-enoate (CAS 91235-11-9) is a chemical compound with molecular formula C19H34N2O2 and molecular weight 322.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-cyano-3-(decylamino)prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-(decylamino)-, pentyl ester, (Z)-
| Molecular Formula | C19H34N2O2 |
|---|---|
| Molecular Weight | 322.26 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 322.26202 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 91235-11-9 |
|---|---|
| SMILES | CCCCCCCCCCNC=C(C#N)C(=O)OCCCCC |
| InChIKey | QNOCJXIUNLPPSN-UHFFFAOYSA-N |
Product Overview
Pentyl 2-cyano-3-(decylamino)prop-2-enoate (CAS 91235-11-9), with molecular formula C19H34N2O2 and molecular weight 322.26 g/mol. IUPAC: pentyl 2-cyano-3-(decylamino)prop-2-enoate.
Chemical Property Profile of Pentyl 2-cyano-3-(decylamino)prop-2-enoate
Property Insights of Pentyl 2-cyano-3-(decylamino)prop-2-enoate
The XLogP value of 7.1 indicates that Pentyl 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 Pentyl 2-cyano-3-(decylamino)prop-2-enoate. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 2-cyano-3-(decylamino)prop-2-enoate?
The CAS number of Pentyl 2-cyano-3-(decylamino)prop-2-enoate is 91235-11-9.
What is the molecular formula of Pentyl 2-cyano-3-(decylamino)prop-2-enoate?
The molecular formula of Pentyl 2-cyano-3-(decylamino)prop-2-enoate is C19H34N2O2.
What is the molecular weight of Pentyl 2-cyano-3-(decylamino)prop-2-enoate?
The molecular weight of Pentyl 2-cyano-3-(decylamino)prop-2-enoate is 322.26 g/mol.
Where can I buy Pentyl 2-cyano-3-(decylamino)prop-2-enoate?
You can request a quote for Pentyl 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 Pentyl 2-cyano-3-(decylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-cyano-3-(decylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.