1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride
TL;DR: 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride (CAS 16870-86-3) is a chemical compound with molecular formula C13H13ClN4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)triazolo[4,5-c]pyridine;hydrochloride
Also Known As: PCA9, 1-(beta-Phenylethyl)triazolo(4,5-c)pyridine hydrochloride, 1-phenethyltriazolo[4,5-c]pyridine hydrochloride, 1-(2-phenylethyl)triazolo[4,5-c]pyridine;hydrochloride, 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride
| Molecular Formula | C13H13ClN4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.49 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0829 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 16870-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=C(C=NC=C3)N=N2.Cl |
| InChIKey | ZQRIEUJRFFXCOE-UHFFFAOYSA-N |
Product Overview
1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride (CAS 16870-86-3), with molecular formula C13H13ClN4 and molecular weight 260.08 g/mol. IUPAC: 1-(2-phenylethyl)triazolo[4,5-c]pyridine;hydrochloride.
Chemical Property Profile of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride
Property Insights of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride
The XLogP value of 2.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride. With a topological polar surface area (TPSA) of 43.6 Ų, 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride 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 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride?
The CAS number of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride is 16870-86-3.
What is the molecular formula of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride?
The molecular formula of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride is C13H13ClN4.
What is the molecular weight of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride?
The molecular weight of 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride is 260.08 g/mol.
Where can I buy 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride?
You can request a quote for 1H-v-Triazolo(4,5-c)pyridine, 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 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-v-Triazolo(4,5-c)pyridine, 1-phenethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.