4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride
TL;DR: 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride (CAS 3414-27-5) is a chemical compound with molecular formula C15H14Cl3NO2 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-ylpropyl 3,5-dichlorobenzoate;hydrochloride
Also Known As: 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride, Benzoic acid, 3,5-dichloro-, 3-(4-pyridyl)propyl ester, hydrochloride, 3-pyridin-4-ylpropyl 3,5-dichlorobenzoate hydrochloride, 3-(Pyridin-4-yl)propyl 3,5-dichlorobenzoate--hydrogen chloride (1/1), Benzoic acid, 3,5-dichloro-, 3-(4-pyridinyl)propyl ester, hydrochloride
| Molecular Formula | C15H14Cl3NO2 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 4.5998 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.009 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 3414-27-5 |
|---|---|
| SMILES | C1=CN=CC=C1CCCOC(=O)C2=CC(=CC(=C2)Cl)Cl.Cl |
| InChIKey | FZGIDZYMOPDJJM-UHFFFAOYSA-N |
Product Overview
4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride (CAS 3414-27-5), with molecular formula C15H14Cl3NO2 and molecular weight 345.01 g/mol. IUPAC: 3-pyridin-4-ylpropyl 3,5-dichlorobenzoate;hydrochloride.
Chemical Property Profile of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride
Property Insights of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride
The XLogP value of 4.5998 indicates that 4-Pyridinepropanol, 3,5-dichlorobenzoate (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, 3,5-dichlorobenzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinepropanol, 3,5-dichlorobenzoate (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, 3,5-dichlorobenzoate (ester), hydrochloride?
The CAS number of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride is 3414-27-5.
What is the molecular formula of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride?
The molecular formula of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride is C15H14Cl3NO2.
What is the molecular weight of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride?
The molecular weight of 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride is 345.01 g/mol.
Where can I buy 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride?
You can request a quote for 4-Pyridinepropanol, 3,5-dichlorobenzoate (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, 3,5-dichlorobenzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.