4-十八烷氧基-4-氧代丁-2-烯酸
TL;DR: 4-十八烷氧基-4-氧代丁-2-烯酸 (CAS 2424-62-6) is a chemical compound with molecular formula C22H40O4 and molecular weight 368.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-十八烷氧基-4-氧代丁-2-烯酸
4-octadecoxy-4-oxobut-2-enoic acid
Also Known As: octadecyl fumarate, 4-octadecoxy-4-oxobut-2-enoic acid, 1-Octadecyl (2Z)-2-butenedioate, 4-octadecoxy-4-oxo-but-2-enoic acid, 2-Butenedioic acid, 1-octadecyl ester
| Molecular Formula | C22H40O4 |
|---|---|
| Molecular Weight | 368.29 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 368.29266 |
| Heavy Atoms | 26 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 2424-62-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O |
| InChIKey | MHQJUHSHQGQVTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-十八烷氧基-4-氧代丁-2-烯酸 (CAS 2424-62-6), with molecular formula C22H40O4 and molecular weight 368.29 g/mol. IUPAC: 4-octadecoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-十八烷氧基-4-氧代丁-2-烯酸
Property Insights of 4-十八烷氧基-4-氧代丁-2-烯酸
The XLogP value of 8.6 indicates that 4-十八烷氧基-4-氧代丁-2-烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-十八烷氧基-4-氧代丁-2-烯酸. Following Lipinski's Rule of Five, 4-十八烷氧基-4-氧代丁-2-烯酸 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 4-十八烷氧基-4-氧代丁-2-烯酸?
The CAS number of 4-十八烷氧基-4-氧代丁-2-烯酸 is 2424-62-6.
What is the molecular formula of 4-十八烷氧基-4-氧代丁-2-烯酸?
The molecular formula of 4-十八烷氧基-4-氧代丁-2-烯酸 is C22H40O4.
What is the molecular weight of 4-十八烷氧基-4-氧代丁-2-烯酸?
The molecular weight of 4-十八烷氧基-4-氧代丁-2-烯酸 is 368.29 g/mol.
Where can I buy 4-十八烷氧基-4-氧代丁-2-烯酸?
You can request a quote for 4-十八烷氧基-4-氧代丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-十八烷氧基-4-氧代丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-十八烷氧基-4-氧代丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.