![3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/497/497077-95-9.png)
3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 497077-95-9) is a chemical compound with molecular formula C17H12FN3OS and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-fluoro-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
Also Known As: 3-benzyl-8-fluoro-2-thioxo-2,3-dihydro-1H-pyrimido[5,4-b]indol-4(5H)-one, 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-benzyl-8-fluoro-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H12FN3OS |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.72779 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0685 |
| Heavy Atoms | 23 |
| Complexity | 1141.6357 |
Chemical Identifiers
| CAS Number | 497077-95-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=S |
Product Overview
3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 497077-95-9), with molecular formula C17H12FN3OS and molecular weight 325.07 g/mol. IUPAC: 3-benzyl-8-fluoro-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.72779 indicates that 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.58 Ų, 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 2 hydrogen bond donor(s) and 2 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 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 497077-95-9.
What is the molecular formula of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C17H12FN3OS.
What is the molecular weight of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 325.07 g/mol.
Where can I buy 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-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 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-fluoro-2-sulfanyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.