Allopurinol impurity 4
TL;DR: Allopurinol impurity 4 (CAS 451458-32-5) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: Allopurinol impurity 4, CDK8-IN-17, 5-(4-Ethylphenyl)-6-((2-methylbenzyl)thio)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, K829-0328, 5-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.27192 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 1145.0255 |
Chemical Identifiers
| CAS Number | 451458-32-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C |
Product Overview
Allopurinol impurity 4 (CAS 451458-32-5), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: 5-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of Allopurinol impurity 4
Property Insights of Allopurinol impurity 4
The XLogP value of 4.27192 indicates that Allopurinol impurity 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Allopurinol impurity 4. Following Lipinski's Rule of Five, Allopurinol impurity 4 has 1 hydrogen bond donor(s) and 4 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 Allopurinol impurity 4?
The CAS number of Allopurinol impurity 4 is 451458-32-5.
What is the molecular formula of Allopurinol impurity 4?
The molecular formula of Allopurinol impurity 4 is C21H20N4OS.
What is the molecular weight of Allopurinol impurity 4?
The molecular weight of Allopurinol impurity 4 is 376.14 g/mol.
Where can I buy Allopurinol impurity 4?
You can request a quote for Allopurinol impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allopurinol impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Allopurinol impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.