4-Oxo-4-tetradecoxybut-2-enoic acid
TL;DR: 4-Oxo-4-tetradecoxybut-2-enoic acid (CAS 45267-59-2) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-tetradecoxybut-2-enoic acid
Also Known As: 2-Butenedioic acid(2E)-, monotetradecyl ester (9CI)
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 45267-59-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)C=CC(=O)O |
| InChIKey | DQHWXDMKGYBSRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4-tetradecoxybut-2-enoic acid (CAS 45267-59-2), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: 4-oxo-4-tetradecoxybut-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-tetradecoxybut-2-enoic acid
Property Insights of 4-Oxo-4-tetradecoxybut-2-enoic acid
The XLogP value of 6.4 indicates that 4-Oxo-4-tetradecoxybut-2-enoic acid 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-Oxo-4-tetradecoxybut-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-tetradecoxybut-2-enoic acid 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-Oxo-4-tetradecoxybut-2-enoic acid?
The CAS number of 4-Oxo-4-tetradecoxybut-2-enoic acid is 45267-59-2.
What is the molecular formula of 4-Oxo-4-tetradecoxybut-2-enoic acid?
The molecular formula of 4-Oxo-4-tetradecoxybut-2-enoic acid is C18H32O4.
What is the molecular weight of 4-Oxo-4-tetradecoxybut-2-enoic acid?
The molecular weight of 4-Oxo-4-tetradecoxybut-2-enoic acid is 312.23 g/mol.
Where can I buy 4-Oxo-4-tetradecoxybut-2-enoic acid?
You can request a quote for 4-Oxo-4-tetradecoxybut-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-Oxo-4-tetradecoxybut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-tetradecoxybut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.