RefChem:1079050
TL;DR: RefChem:1079050 (CAS 3095-39-4) is a chemical compound with molecular formula C20H31ClN2O7 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
Also Known As: Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate, 3,5-Dimethyl-4-(2-piperidinopropionamido)benzoic acid propyl ester perchlorate, propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate, Benzoic acid, 3,5-dimethyl-4-((1-oxo-2-(1-piperidinyl)propyl)amino)-, propyl ester, perchlorate (1:1), RefChem:1079050
| Molecular Formula | C20H31ClN2O7 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | -2.49 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.18198 |
| Heavy Atoms | 30 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 3095-39-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCC2)C.[O-]Cl(=O)(=O)=O |
| InChIKey | JTEBOYIKYDHFPH-UHFFFAOYSA-N |
Product Overview
RefChem:1079050 (CAS 3095-39-4), with molecular formula C20H31ClN2O7 and molecular weight 446.18 g/mol. IUPAC: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate.
Chemical Property Profile of RefChem:1079050
Property Insights of RefChem:1079050
The XLogP value of -2.49 indicates that RefChem:1079050 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079050. Following Lipinski's Rule of Five, RefChem:1079050 has 2 hydrogen bond donor(s) and 7 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 RefChem:1079050?
The CAS number of RefChem:1079050 is 3095-39-4.
What is the molecular formula of RefChem:1079050?
The molecular formula of RefChem:1079050 is C20H31ClN2O7.
What is the molecular weight of RefChem:1079050?
The molecular weight of RefChem:1079050 is 446.18 g/mol.
Where can I buy RefChem:1079050?
You can request a quote for RefChem:1079050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.