1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate
TL;DR: 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate (CAS 68906-34-3) is a chemical compound with molecular formula C34H61NO7 and molecular weight 595.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[[1,3-bis(2-methylpropoxy)-1,3-dioxopropan-2-yl]-nonadecylamino]-4-oxobut-2-enoic acid
Also Known As: EINECS 272-670-4, Diisobutyl N-(Z)-3-carboxyacryloyl-N-stearyl-L-aspartate, N-1,2-Dicarboxyethyl-N-(C18 alkyl)maleamic acid, diisobutyl ester, 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate, (Z)-4-[[1,3-bis(2-methylpropoxy)-1,3-dioxopropan-2-yl]-nonadecylamino]-4-oxobut-2-enoic acid
| Molecular Formula | C34H61NO7 |
|---|---|
| Molecular Weight | 595.44 g/mol |
| LogP | 7.8744 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 595.4448 |
| Heavy Atoms | 42 |
| Complexity | 738.9894 |
Chemical Identifiers
| CAS Number | 68906-34-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCN(C(C(=O)OCC(C)C)C(=O)OCC(C)C)C(=O)/C=C\C(=O)O |
Product Overview
1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate (CAS 68906-34-3), with molecular formula C34H61NO7 and molecular weight 595.44 g/mol. IUPAC: (Z)-4-[[1,3-bis(2-methylpropoxy)-1,3-dioxopropan-2-yl]-nonadecylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate
Property Insights of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate
The XLogP value of 7.8744 indicates that 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate. Following Lipinski's Rule of Five, 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate?
The CAS number of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate is 68906-34-3.
What is the molecular formula of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate?
The molecular formula of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate is C34H61NO7.
What is the molecular weight of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate?
The molecular weight of 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate is 595.44 g/mol.
Where can I buy 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate?
You can request a quote for 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diisobutyl hydrogen (Z)-N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.