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2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 537668-41-0) is a chemical compound with molecular formula C18H14FN3OS and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: G856-0794, F0580-0076, 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-fluorobenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H14FN3OS |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.08417 |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 537668-41-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=CC=C4F |
| InChIKey | BLSKIMQVRISECF-UHFFFAOYSA-N |
Product Overview
2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 537668-41-0), with molecular formula C18H14FN3OS and molecular weight 339.08 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.9 indicates that 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one 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 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 537668-41-0.
What is the molecular formula of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one is C18H14FN3OS.
What is the molecular weight of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 339.08 g/mol.
Where can I buy 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.