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N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
TL;DR: N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688354-45-2) is a chemical compound with molecular formula C22H18FN3S and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
Also Known As: N-benzyl-2-((2-fluorobenzyl)thio)quinazolin-4-amine, N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine, N-benzyl-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine, BRD-K71448126-001-01-7, F6548-4403
| Molecular Formula | C22H18FN3S |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 5.6733 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.12054 |
| Heavy Atoms | 27 |
| Complexity | 1053.5443 |
Chemical Identifiers
| CAS Number | 688354-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC=CC=C4F |
Product Overview
N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688354-45-2), with molecular formula C22H18FN3S and molecular weight 375.12 g/mol. IUPAC: N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine.
Chemical Property Profile of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
Property Insights of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
The XLogP value of 5.6733 indicates that N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine has 1 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 N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine?
The CAS number of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine is 688354-45-2.
What is the molecular formula of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular formula of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine is C22H18FN3S.
What is the molecular weight of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular weight of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine is 375.12 g/mol.
Where can I buy N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine?
You can request a quote for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.