Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride
TL;DR: Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride (CAS 13065-35-5) is a chemical compound with molecular formula C16H23ClN2O4 and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate;hydrochloride
Also Known As: Methyl 4-(3-piperidinopropionylamino)salicylate, hydrochloride, Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride, methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride, Methyl 2-hydroxy-4-[3-(piperidin-1-yl)propanamido]benzoate--hydrogen chloride (1/1), Benzoic acid, 2-hydroxy-4-[[3-(1-piperidinyl)-1-oxopropyl]amino]-, methyl ester, monohydrochloride
| Molecular Formula | C16H23ClN2O4 |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 2.4151 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.13464 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 13065-35-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O.Cl |
| InChIKey | KGWBNQJOLKLSSJ-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride (CAS 13065-35-5), with molecular formula C16H23ClN2O4 and molecular weight 342.13 g/mol. IUPAC: methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate;hydrochloride.
Chemical Property Profile of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride
Property Insights of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride
The XLogP value of 2.4151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(3-piperidinopropionamido)-, methyl 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-piperidinopropionamido)-, methyl ester, hydrochloride?
The CAS number of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride is 13065-35-5.
What is the molecular formula of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride?
The molecular formula of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride is C16H23ClN2O4.
What is the molecular weight of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride?
The molecular weight of Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride is 342.13 g/mol.
Where can I buy Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride?
You can request a quote for Salicylic acid, 4-(3-piperidinopropionamido)-, methyl 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-piperidinopropionamido)-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(3-piperidinopropionamido)-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.