![2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine structure](/static/products/860/860786-54-5.png)
2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine
TL;DR: 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine (CAS 860786-54-5) is a chemical compound with molecular formula C25H32FN3O2S and molecular weight 457.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine
Also Known As: 12T-0280, 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine, 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine, 2-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-octyl-3,4-dihydroquinazolin-4-imine, 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine
| Molecular Formula | C25H32FN3O2S |
|---|---|
| Molecular Weight | 457.22 g/mol |
| LogP | 6.32487 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 457.21994 |
| Heavy Atoms | 32 |
| Complexity | 1100.4725 |
Chemical Identifiers
| CAS Number | 860786-54-5 |
|---|---|
| SMILES | CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=CC=C3F)OC)OC |
Product Overview
2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine (CAS 860786-54-5), with molecular formula C25H32FN3O2S and molecular weight 457.22 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine.
Chemical Property Profile of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine
Property Insights of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine
The XLogP value of 6.32487 indicates that 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine. Following Lipinski's Rule of Five, 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine?
The CAS number of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine is 860786-54-5.
What is the molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine?
The molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine is C25H32FN3O2S.
What is the molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine?
The molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine is 457.22 g/mol.
Where can I buy 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine?
You can request a quote for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dimethoxy-3-octyl-4(3H)-quinazolinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.