Propanedioic acid, 2-octadecyl-
TL;DR: Propanedioic acid, 2-octadecyl- (CAS 4475-04-1) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octadecylpropanedioic acid
Also Known As: Octadecylmalonic acid, Stearylmalonic acid, octadecylmalonsaure, Malonic acid, octadecyl-, octadecylmalonicacid
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 4475-04-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O |
| InChIKey | WMUFHDYXFASDAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2-octadecyl- (CAS 4475-04-1), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: 2-octadecylpropanedioic acid.
Chemical Property Profile of Propanedioic acid, 2-octadecyl-
Property Insights of Propanedioic acid, 2-octadecyl-
The XLogP value of 8.6 indicates that Propanedioic acid, 2-octadecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-octadecyl-. Following Lipinski's Rule of Five, Propanedioic acid, 2-octadecyl- has 2 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 Propanedioic acid, 2-octadecyl-?
The CAS number of Propanedioic acid, 2-octadecyl- is 4475-04-1.
What is the molecular formula of Propanedioic acid, 2-octadecyl-?
The molecular formula of Propanedioic acid, 2-octadecyl- is C21H40O4.
What is the molecular weight of Propanedioic acid, 2-octadecyl-?
The molecular weight of Propanedioic acid, 2-octadecyl- is 356.29 g/mol.
Where can I buy Propanedioic acid, 2-octadecyl-?
You can request a quote for Propanedioic acid, 2-octadecyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2-octadecyl-?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-octadecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.