Pyrazinamine,6-(phenylmethyl)
TL;DR: Pyrazinamine,6-(phenylmethyl) (CAS 168152-67-8) is a chemical compound with molecular formula C22H20N8S and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-thione
Also Known As: Pyrazinamine,6-(phenylmethyl), (1,2,4)Triazolo(1,5-a)pyrimidine-5(1H)-thione, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-thione, 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5,7,9-tetr azabicyclo[4.3.0]nona-2,5,7-t, [1,2,4]Triazolo[1,5-a]pyrimidine-5(1H)-thione,7-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
| Molecular Formula | C22H20N8S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 4.17729 |
| Topological Polar Surface Area | 100.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.15317 |
| Heavy Atoms | 31 |
| Complexity | 1383.5938 |
Chemical Identifiers
| CAS Number | 168152-67-8 |
|---|---|
| SMILES | CCCC1=C(C(=S)N=C2N1NC=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
Product Overview
Pyrazinamine,6-(phenylmethyl) (CAS 168152-67-8), with molecular formula C22H20N8S and molecular weight 428.15 g/mol. IUPAC: 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-thione.
Chemical Property Profile of Pyrazinamine,6-(phenylmethyl)
Property Insights of Pyrazinamine,6-(phenylmethyl)
The XLogP value of 4.17729 indicates that Pyrazinamine,6-(phenylmethyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazinamine,6-(phenylmethyl). Following Lipinski's Rule of Five, Pyrazinamine,6-(phenylmethyl) has 2 hydrogen bond donor(s) and 6 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 Pyrazinamine,6-(phenylmethyl)?
The CAS number of Pyrazinamine,6-(phenylmethyl) is 168152-67-8.
What is the molecular formula of Pyrazinamine,6-(phenylmethyl)?
The molecular formula of Pyrazinamine,6-(phenylmethyl) is C22H20N8S.
What is the molecular weight of Pyrazinamine,6-(phenylmethyl)?
The molecular weight of Pyrazinamine,6-(phenylmethyl) is 428.15 g/mol.
Where can I buy Pyrazinamine,6-(phenylmethyl)?
You can request a quote for Pyrazinamine,6-(phenylmethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazinamine,6-(phenylmethyl)?
Yes, KEHONG BIO provides custom synthesis services for Pyrazinamine,6-(phenylmethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.