Ethyl 4-(octadecylamino)benzoate
TL;DR: Ethyl 4-(octadecylamino)benzoate (CAS 56255-65-3) is a chemical compound with molecular formula C27H47NO2 and molecular weight 417.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(octadecylamino)benzoate
Also Known As: ethyl 4-(octadecylamino)benzoate, Benzoic acid,4-(octadecylamino)-, ethyl ester
| Molecular Formula | C27H47NO2 |
|---|---|
| Molecular Weight | 417.36 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 417.3607 |
| Heavy Atoms | 30 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 56255-65-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | OPXKELKVCZNZNP-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(octadecylamino)benzoate (CAS 56255-65-3), with molecular formula C27H47NO2 and molecular weight 417.36 g/mol. IUPAC: ethyl 4-(octadecylamino)benzoate.
Chemical Property Profile of Ethyl 4-(octadecylamino)benzoate
Property Insights of Ethyl 4-(octadecylamino)benzoate
The XLogP value of 11.5 indicates that Ethyl 4-(octadecylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 4-(octadecylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(octadecylamino)benzoate has 1 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 Ethyl 4-(octadecylamino)benzoate?
The CAS number of Ethyl 4-(octadecylamino)benzoate is 56255-65-3.
What is the molecular formula of Ethyl 4-(octadecylamino)benzoate?
The molecular formula of Ethyl 4-(octadecylamino)benzoate is C27H47NO2.
What is the molecular weight of Ethyl 4-(octadecylamino)benzoate?
The molecular weight of Ethyl 4-(octadecylamino)benzoate is 417.36 g/mol.
Where can I buy Ethyl 4-(octadecylamino)benzoate?
You can request a quote for Ethyl 4-(octadecylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(octadecylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(octadecylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.