4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride
TL;DR: 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride (CAS 3414-31-1) is a chemical compound with molecular formula C15H15Cl2NO2 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-ylpropyl 2-chlorobenzoate;hydrochloride
Also Known As: 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride, Benzoic acid, 2-chloro-, (3-(4-pyridyl)propyl) ester, hydrochloride, 3-pyridin-4-ylpropyl 2-chlorobenzoate hydrochloride, 3-pyridin-4-ylpropyl 2-chlorobenzoate,hydrochloride, 3-(Pyridin-4-yl)propyl 2-chlorobenzoate--hydrogen chloride (1/1)
| Molecular Formula | C15H15Cl2NO2 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 3.9464 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.04797 |
| Heavy Atoms | 20 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 3414-31-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCC2=CC=NC=C2)Cl.Cl |
| InChIKey | NPZPATJQIUVYTP-UHFFFAOYSA-N |
Product Overview
4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride (CAS 3414-31-1), with molecular formula C15H15Cl2NO2 and molecular weight 311.05 g/mol. IUPAC: 3-pyridin-4-ylpropyl 2-chlorobenzoate;hydrochloride.
Chemical Property Profile of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride
Property Insights of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride
The XLogP value of 3.9464 indicates that 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride has 1 hydrogen bond donor(s) and 3 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 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride?
The CAS number of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride is 3414-31-1.
What is the molecular formula of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride?
The molecular formula of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride is C15H15Cl2NO2.
What is the molecular weight of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride?
The molecular weight of 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride is 311.05 g/mol.
Where can I buy 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride?
You can request a quote for 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.