![2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine structure](/static/products/714/714224-64-3.png)
2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine
TL;DR: 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine (CAS 714224-64-3) is a chemical compound with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
Also Known As: 2-methyl-4-((4-nitrobenzyl)thio)benzofuro[3,2-d]pyrimidine, 2-methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine, 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
| Molecular Formula | C18H13N3O3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 4.88492 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.06775 |
| Heavy Atoms | 25 |
| Complexity | 1090.0729 |
Chemical Identifiers
| CAS Number | 714224-64-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C42 |
Product Overview
2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine (CAS 714224-64-3), with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol. IUPAC: 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
Chemical Property Profile of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine
Property Insights of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine
The XLogP value of 4.88492 indicates that 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine has 0 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 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine?
The CAS number of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine is 714224-64-3.
What is the molecular formula of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine?
The molecular formula of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine is C18H13N3O3S.
What is the molecular weight of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine?
The molecular weight of 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine is 351.07 g/mol.
Where can I buy 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine?
You can request a quote for 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-[(4-nitrobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.