![4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine structure](/static/products/851/851130-49-9.png)
4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine
TL;DR: 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 851130-49-9) is a chemical compound with molecular formula C19H16N2OS and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
Also Known As: 4-((2,5-dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine, F0596-0084, 4-[(2,5-dimethylphenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine, 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C19H16N2OS |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 5.28514 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.09833 |
| Heavy Atoms | 23 |
| Complexity | 1006.7779 |
Chemical Identifiers
| CAS Number | 851130-49-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2OC4=CC=CC=C43 |
Product Overview
4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 851130-49-9), with molecular formula C19H16N2OS and molecular weight 320.10 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
Chemical Property Profile of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine
Property Insights of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine
The XLogP value of 5.28514 indicates that 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine?
The CAS number of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine is 851130-49-9.
What is the molecular formula of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular formula of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine is C19H16N2OS.
What is the molecular weight of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular weight of 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine is 320.10 g/mol.
Where can I buy 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine?
You can request a quote for 4-((2,5-Dimethylbenzyl)thio)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 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-Dimethylbenzyl)thio)benzofuro[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.