2-(Diethylamino)ethyl 4-butylaminosalicylate
TL;DR: 2-(Diethylamino)ethyl 4-butylaminosalicylate (CAS 3687-99-8) is a chemical compound with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-(butylamino)-2-hydroxybenzoate
Also Known As: NIOSH/VO1922000, 2-(Diethylamino)ethyl 4-butylaminosalicylate, S-650, 2-(diethylamino)ethyl 4-(butylamino)-2-hydroxybenzoate, 4-n-Butylamino-salizylsaeure-diaethylaminoaethylester
| Molecular Formula | C17H28N2O3 |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 3.1028 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.21 |
| Heavy Atoms | 22 |
| Complexity | 459.21732 |
Chemical Identifiers
| CAS Number | 3687-99-8 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OCCN(CC)CC)O |
Product Overview
2-(Diethylamino)ethyl 4-butylaminosalicylate (CAS 3687-99-8), with molecular formula C17H28N2O3 and molecular weight 308.21 g/mol. IUPAC: 2-(diethylamino)ethyl 4-(butylamino)-2-hydroxybenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-butylaminosalicylate
Property Insights of 2-(Diethylamino)ethyl 4-butylaminosalicylate
The XLogP value of 3.1028 indicates that 2-(Diethylamino)ethyl 4-butylaminosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 4-butylaminosalicylate. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-butylaminosalicylate has 2 hydrogen bond donor(s) and 5 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 2-(Diethylamino)ethyl 4-butylaminosalicylate?
The CAS number of 2-(Diethylamino)ethyl 4-butylaminosalicylate is 3687-99-8.
What is the molecular formula of 2-(Diethylamino)ethyl 4-butylaminosalicylate?
The molecular formula of 2-(Diethylamino)ethyl 4-butylaminosalicylate is C17H28N2O3.
What is the molecular weight of 2-(Diethylamino)ethyl 4-butylaminosalicylate?
The molecular weight of 2-(Diethylamino)ethyl 4-butylaminosalicylate is 308.21 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-butylaminosalicylate?
You can request a quote for 2-(Diethylamino)ethyl 4-butylaminosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-butylaminosalicylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-butylaminosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.