Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride
TL;DR: Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride (CAS 14028-10-5) is a chemical compound with molecular formula C20H33ClN2O4 and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride
Also Known As: Hexyl 4-(3-(diethylamino)propionylamino)salicylate, hydrochloride, Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride, hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate hydrochloride, Hexyl 4-[(N,N-diethyl-beta-alanyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1), Salicylic acid, 4-[3-(diethylamino)propionamido]-, hexyl ester, monohydrochloride
| Molecular Formula | C20H33ClN2O4 |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 4.2215 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 400.2129 |
| Heavy Atoms | 27 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 14028-10-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(CC)CC)O.Cl |
| InChIKey | OTSNUZUXCKYHKZ-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride (CAS 14028-10-5), with molecular formula C20H33ClN2O4 and molecular weight 400.21 g/mol. IUPAC: hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride
Property Insights of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride
The XLogP value of 4.2215 indicates that Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride has 3 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 Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride?
The CAS number of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride is 14028-10-5.
What is the molecular formula of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride?
The molecular formula of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride is C20H33ClN2O4.
What is the molecular weight of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride?
The molecular weight of Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride is 400.21 g/mol.
Where can I buy Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride?
You can request a quote for Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(3-(diethylamino)propionamido)-, hexyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.