Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride
TL;DR: Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride (CAS 13065-33-3) is a chemical compound with molecular formula C15H23ClN2O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Also Known As: Ethyl 4-(3-(isopropylamino)propionylamino)salicylate, hydrochloride, Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride, ethyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride, Ethyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1), Benzoic acid, 2-hydroxy-4-[[3-[(1-methylethyl)amino]-1-oxopropyl]amino]-, ethyl ester, monohydrochloride
| Molecular Formula | C15H23ClN2O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 2.3173 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.13464 |
| Heavy Atoms | 22 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 13065-33-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl |
| InChIKey | SKCRHTOALWCAMP-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride (CAS 13065-33-3), with molecular formula C15H23ClN2O4 and molecular weight 330.13 g/mol. IUPAC: ethyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride
Property Insights of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride
The XLogP value of 2.3173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride has 4 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-(isopropylamino)propionamido)-, ethyl ester, hydrochloride?
The CAS number of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride is 13065-33-3.
What is the molecular formula of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular formula of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride is C15H23ClN2O4.
What is the molecular weight of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular weight of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride is 330.13 g/mol.
Where can I buy Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride?
You can request a quote for Salicylic acid, 4-(3-(isopropylamino)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-(isopropylamino)propionamido)-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.