3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 69780-89-8) is a chemical compound with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-3-pyridin-3-ylpropyl)-dimethylazanium chloride
Also Known As: beta-Pyridyl-beta-dimethylaminoethylcarbinyl benzoate hydrochloride, BENZOIC ACID, (3-DIMETHYLAMINO-1-(3-PYRIDYL))PROPYL ESTER, HYDROCHLORIDE, (3-benzoyloxy-3-pyridin-3-ylpropyl)-dimethylazanium chloride, 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1), RefChem:1067087
| Molecular Formula | C17H21ClN2O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.12915 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 69780-89-8 |
|---|---|
| SMILES | C[NH+](C)CCC(C1=CN=CC=C1)OC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | KNCPWWKZEUXSCB-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 69780-89-8), with molecular formula C17H21ClN2O2 and molecular weight 320.13 g/mol. IUPAC: (3-benzoyloxy-3-pyridin-3-ylpropyl)-dimethylazanium chloride.
Chemical Property Profile of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of -1.48 indicates that 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.6 Ų, 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 4 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 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) is 69780-89-8.
What is the molecular formula of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) is C17H21ClN2O2.
What is the molecular weight of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) is 320.13 g/mol.
Where can I buy 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)-1-(pyridin-3-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.