二甲氨苯酸辛酯
TL;DR: 二甲氨苯酸辛酯 (CAS 21245-02-3) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲氨苯酸辛酯
2-ethylhexyl 4-(dimethylamino)benzoate
Also Known As: Padimate O, 2-Ethylhexyl 4-(dimethylamino)benzoate, Padimate-O, Octyl dimethyl PABA, Escalol 507
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
| Boiling Point | 362 |
| Density | 0.995 g/cu cm at 25 °C |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 21245-02-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C |
| InChIKey | WYWZRNAHINYAEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲氨苯酸辛酯 (CAS 21245-02-3), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: 2-ethylhexyl 4-(dimethylamino)benzoate.
Chemical Property Profile of 二甲氨苯酸辛酯
Property Insights of 二甲氨苯酸辛酯
The XLogP value of 5.0 indicates that 二甲氨苯酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 二甲氨苯酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲氨苯酸辛酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二甲氨苯酸辛酯?
The CAS number of 二甲氨苯酸辛酯 is 21245-02-3.
What is the molecular formula of 二甲氨苯酸辛酯?
The molecular formula of 二甲氨苯酸辛酯 is C17H27NO2.
What is the molecular weight of 二甲氨苯酸辛酯?
The molecular weight of 二甲氨苯酸辛酯 is 277.20 g/mol.
Where can I buy 二甲氨苯酸辛酯?
You can request a quote for 二甲氨苯酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲氨苯酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲氨苯酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.