Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride
TL;DR: Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride (CAS 14049-76-4) is a chemical compound with molecular formula C16H25ClN2O4 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Also Known As: Propyl 4-(3-(isopropylamino)propionylamino)salicylate, hydrochloride, Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride, propyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride, Propyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1), Salicylic acid, 4-[3-(isopropylamino)propionamido]-, propyl ester, monohydrochloride
| Molecular Formula | C16H25ClN2O4 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 2.7074 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.1503 |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 14049-76-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl |
| InChIKey | TXWUOQPNEQNAQD-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride (CAS 14049-76-4), with molecular formula C16H25ClN2O4 and molecular weight 344.15 g/mol. IUPAC: propyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride
Property Insights of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride
The XLogP value of 2.7074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl 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)-, propyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl 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)-, propyl ester, hydrochloride?
The CAS number of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride is 14049-76-4.
What is the molecular formula of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride?
The molecular formula of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride is C16H25ClN2O4.
What is the molecular weight of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride?
The molecular weight of Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride is 344.15 g/mol.
Where can I buy Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride?
You can request a quote for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl 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)-, propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(3-(isopropylamino)propionamido)-, propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.