4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid (CAS 93804-04-7) is a chemical compound with molecular formula C22H39NO3 and molecular weight 365.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(octadec-1-enylamino)-4-oxobut-2-enoic acid
Also Known As: EINECS 298-379-2, 4-(Octadecenylamino)-4-oxo-2-butenoic acid, 2-Butenoic acid, 4-(octadecenylamino)-4-oxo-
| Molecular Formula | C22H39NO3 |
|---|---|
| Molecular Weight | 365.29 g/mol |
| LogP | 6.1285 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 365.293 |
| Heavy Atoms | 26 |
| Complexity | 402.19153 |
Chemical Identifiers
| CAS Number | 93804-04-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC=CNC(=O)C=CC(=O)O |
Product Overview
4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid (CAS 93804-04-7), with molecular formula C22H39NO3 and molecular weight 365.29 g/mol. IUPAC: 4-(octadec-1-enylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid
The XLogP value of 6.1285 indicates that 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid is 93804-04-7.
What is the molecular formula of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid is C22H39NO3.
What is the molecular weight of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid is 365.29 g/mol.
Where can I buy 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octadec-1-enylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.