![2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536706-87-3.webp)
2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-87-3) is a chemical compound with molecular formula C24H18FN3O2S and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[(3-fluorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0440, 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H18FN3O2S |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 5.307 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.11038 |
| Heavy Atoms | 31 |
| Complexity | 1475.2441 |
Chemical Identifiers
| CAS Number | 536706-87-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=CC=C5)F |
Product Overview
2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-87-3), with molecular formula C24H18FN3O2S and molecular weight 431.11 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.307 indicates that 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one 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 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536706-87-3.
What is the molecular formula of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H18FN3O2S.
What is the molecular weight of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 431.11 g/mol.
Where can I buy 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.