Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride
TL;DR: Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride (CAS 13065-38-8) is a chemical compound with molecular formula C14H21ClN2O4 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride
Also Known As: Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride, 4-(3-(Dimethylamino)propionamido)salicylic acid ethyl ester hydrochloride, Ethyl 4-(3-(dimethylamino)propionylamino)salicylate, hydrochloride, ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate hydrochloride, Ethyl 4-[(N,N-dimethyl-beta-alanyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C14H21ClN2O4 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 1.8809 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.119 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 13065-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(C)C)O.Cl |
| InChIKey | HAHPZJNLMLFVAK-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride (CAS 13065-38-8), with molecular formula C14H21ClN2O4 and molecular weight 316.12 g/mol. IUPAC: ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride
Property Insights of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride
The XLogP value of 1.8809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl 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-(dimethylamino)propionamido)-, ethyl ester, hydrochloride?
The CAS number of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride is 13065-38-8.
What is the molecular formula of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular formula of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride is C14H21ClN2O4.
What is the molecular weight of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular weight of Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride is 316.12 g/mol.
Where can I buy Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride?
You can request a quote for Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl 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-(dimethylamino)propionamido)-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(3-(dimethylamino)propionamido)-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.