Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride
TL;DR: Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride (CAS 38099-65-9) is a chemical compound with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)pyridin-4-imine;hydrochloride
Also Known As: Aniline mustard glucuronide, 1-phenethylpyridin-4-imine hydrochloride, Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride, 1-Phenethyl-4-imino-1,4-dihydropyridine hydrochloride, 1,4-Dihydro-4-imino-1-phenethylpyridine monohydrochloride
| Molecular Formula | C13H15ClN2 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.63207 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.09238 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 38099-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C=CC(=N)C=C2.Cl |
| InChIKey | YKECYMFUPBTPHD-UHFFFAOYSA-N |
Product Overview
Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride (CAS 38099-65-9), with molecular formula C13H15ClN2 and molecular weight 234.09 g/mol. IUPAC: 1-(2-phenylethyl)pyridin-4-imine;hydrochloride.
Chemical Property Profile of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride
Property Insights of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride
The XLogP value of 2.63207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride. With a topological polar surface area (TPSA) of 27.1 Ų, Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride has 2 hydrogen bond donor(s) and 2 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 Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride?
The CAS number of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride is 38099-65-9.
What is the molecular formula of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride?
The molecular formula of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride is C13H15ClN2.
What is the molecular weight of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride?
The molecular weight of Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride is 234.09 g/mol.
Where can I buy Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride?
You can request a quote for Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.