![2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536710-59-5.webp)
2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-59-5) is a chemical compound with molecular formula C25H19ClFN3O2S and molecular weight 479.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, F0580-0655, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one, 2-{[(2-CHLORO-6-FLUOROPHENYL)METHYL]SULFANYL}-3-(4-ETHOXYPHENYL)-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE
| Molecular Formula | C25H19ClFN3O2S |
|---|---|
| Molecular Weight | 479.09 g/mol |
| LogP | 6.3505 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.08707 |
| Heavy Atoms | 33 |
| Complexity | 1509.0588 |
Chemical Identifiers
| CAS Number | 536710-59-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F |
Product Overview
2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-59-5), with molecular formula C25H19ClFN3O2S and molecular weight 479.09 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 6.3505 indicates that 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-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-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-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-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-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-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536710-59-5.
What is the molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C25H19ClFN3O2S.
What is the molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 479.09 g/mol.
Where can I buy 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-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-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.