3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
TL;DR: 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride (CAS 3414-29-7) is a chemical compound with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-ylpropyl 4-nitrobenzoate;hydrochloride
Also Known As: 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride, Benzoic acid, 4-nitro-, (3-(3-pyridyl)propyl) ester, hydrochloride, 3-pyridin-3-ylpropyl 4-nitrobenzoate hydrochloride, 3-pyridin-3-ylpropyl 4-nitrobenzoate,hydrochloride, 3-Pyridinepropanol, 4-nitrobenzoate (ester), monohydrochloride
| Molecular Formula | C15H15ClN2O4 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 3.2012 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.07202 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 3414-29-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| InChIKey | PEMROFJVPZOBJI-UHFFFAOYSA-N |
Product Overview
3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride (CAS 3414-29-7), with molecular formula C15H15ClN2O4 and molecular weight 322.07 g/mol. IUPAC: 3-pyridin-3-ylpropyl 4-nitrobenzoate;hydrochloride.
Chemical Property Profile of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
Property Insights of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
The XLogP value of 3.2012 indicates that 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride. Following Lipinski's Rule of Five, 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride has 1 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 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride?
The CAS number of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride is 3414-29-7.
What is the molecular formula of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride?
The molecular formula of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride is C15H15ClN2O4.
What is the molecular weight of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride?
The molecular weight of 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride is 322.07 g/mol.
Where can I buy 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride?
You can request a quote for 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.