邻苯二甲酸氢十八烷基酯
TL;DR: 邻苯二甲酸氢十八烷基酯 (CAS 17181-26-9) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸氢十八烷基酯
2-octadecoxycarbonylbenzoic acid
Also Known As: Octadecyl hydrogen phthalate, 2-octadecoxycarbonylbenzoic acid, 2-[(octadecyloxy)carbonyl]benzoic acid, Phthalsaeure-monooctadecylester, HYDROGEN OCTADECYL PHTHALATE
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 17181-26-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | GXXNMQBOGJLFAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸氢十八烷基酯 (CAS 17181-26-9), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-octadecoxycarbonylbenzoic acid.
Chemical Property Profile of 邻苯二甲酸氢十八烷基酯
Property Insights of 邻苯二甲酸氢十八烷基酯
The XLogP value of 10.7 indicates that 邻苯二甲酸氢十八烷基酯 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 邻苯二甲酸氢十八烷基酯. Following Lipinski's Rule of Five, 邻苯二甲酸氢十八烷基酯 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 邻苯二甲酸氢十八烷基酯?
The CAS number of 邻苯二甲酸氢十八烷基酯 is 17181-26-9.
What is the molecular formula of 邻苯二甲酸氢十八烷基酯?
The molecular formula of 邻苯二甲酸氢十八烷基酯 is C26H42O4.
What is the molecular weight of 邻苯二甲酸氢十八烷基酯?
The molecular weight of 邻苯二甲酸氢十八烷基酯 is 418.31 g/mol.
Where can I buy 邻苯二甲酸氢十八烷基酯?
You can request a quote for 邻苯二甲酸氢十八烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸氢十八烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸氢十八烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.