Octyl p-dimethylaminobenzoate
TL;DR: Octyl p-dimethylaminobenzoate (CAS 58817-05-3) 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.
octyl 4-(dimethylamino)benzoate
Also Known As: Padimite A, Octyl 4-(Dimethylamino)benzoate, Octyl p-Dimethylaminobenzoate, Octyl dimethyl 4-aminobenzoic acid, Octyl dimethyl PABA
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 58817-05-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=C(C=C1)N(C)C |
| InChIKey | YAGMLECKUBJRNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl p-dimethylaminobenzoate (CAS 58817-05-3), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: octyl 4-(dimethylamino)benzoate.
Chemical Property Profile of Octyl p-dimethylaminobenzoate
Property Insights of Octyl p-dimethylaminobenzoate
The XLogP value of 5.8 indicates that Octyl p-dimethylaminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Octyl p-dimethylaminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl p-dimethylaminobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl p-dimethylaminobenzoate?
The CAS number of Octyl p-dimethylaminobenzoate is 58817-05-3.
What is the molecular formula of Octyl p-dimethylaminobenzoate?
The molecular formula of Octyl p-dimethylaminobenzoate is C17H27NO2.
What is the molecular weight of Octyl p-dimethylaminobenzoate?
The molecular weight of Octyl p-dimethylaminobenzoate is 277.20 g/mol.
Where can I buy Octyl p-dimethylaminobenzoate?
You can request a quote for Octyl p-dimethylaminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl p-dimethylaminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl p-dimethylaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.