Ethyl cis-4-undecenoate
TL;DR: Ethyl cis-4-undecenoate (CAS 39945-18-1) is a chemical compound with molecular formula C24H33N3O12 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioate
Also Known As: Ethyl cis-4-undecenoate, BAS 00015871, 2,4,6(1H,3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha'),delta(sup 6,alpha'')-trimalonic acid, hexaethyl ester, 2,4,6-tris(dicarbethoxymethylene)hexahydro-s-triazine, (Hexahydro-1,3,5-triazine-2,4,6-triylidene)tris(malonic acid diethyl) ester
| Molecular Formula | C24H33N3O12 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | -0.2178 |
| Topological Polar Surface Area | 193.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 555.2064 |
| Heavy Atoms | 39 |
| Complexity | 869.0896 |
Chemical Identifiers
| CAS Number | 39945-18-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1NC(=C(C(=O)OCC)C(=O)OCC)NC(=C(C(=O)OCC)C(=O)OCC)N1)C(=O)OCC |
Product Overview
Ethyl cis-4-undecenoate (CAS 39945-18-1), with molecular formula C24H33N3O12 and molecular weight 555.21 g/mol. IUPAC: diethyl 2-[4,6-bis(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioate.
Chemical Property Profile of Ethyl cis-4-undecenoate
Property Insights of Ethyl cis-4-undecenoate
The XLogP value of -0.2178 indicates that Ethyl cis-4-undecenoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.89 Ų indicates high polarity, suggesting Ethyl cis-4-undecenoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl cis-4-undecenoate has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl cis-4-undecenoate?
The CAS number of Ethyl cis-4-undecenoate is 39945-18-1.
What is the molecular formula of Ethyl cis-4-undecenoate?
The molecular formula of Ethyl cis-4-undecenoate is C24H33N3O12.
What is the molecular weight of Ethyl cis-4-undecenoate?
The molecular weight of Ethyl cis-4-undecenoate is 555.21 g/mol.
Where can I buy Ethyl cis-4-undecenoate?
You can request a quote for Ethyl cis-4-undecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cis-4-undecenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cis-4-undecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.