Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride
TL;DR: Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride (CAS 78280-34-9) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylamino)cyclohexyl] 4-(butylamino)-2-hydroxybenzoate;hydrochloride
Also Known As: C 4210, p-Butylaminosalicylic acid, 2-(diethylamino)cyclohexyl ester hydrochloride, Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride, [2-(diethylamino)cyclohexyl] 4-(butylamino)-2-hydroxybenzoate hydrochloride, 2-(Diethylamino)cyclohexyl 4-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 4.8358 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 578.54517 |
Chemical Identifiers
| CAS Number | 78280-34-9 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OC2CCCCC2N(CC)CC)O.Cl |
Product Overview
Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride (CAS 78280-34-9), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: [2-(diethylamino)cyclohexyl] 4-(butylamino)-2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride
Property Insights of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride
The XLogP value of 4.8358 indicates that Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride 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 Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride 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 Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride?
The CAS number of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride is 78280-34-9.
What is the molecular formula of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride?
The molecular formula of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride is C21H35ClN2O3.
What is the molecular weight of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride?
The molecular weight of Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride is 398.23 g/mol.
Where can I buy Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride?
You can request a quote for Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl 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, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, p-butylamino-, 2-(diethylamino)cyclohexyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.