![2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536712-32-0.webp)
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536712-32-0) is a chemical compound with molecular formula C23H15ClFN3OS and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0748, 2-((4-chlorobenzyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H15ClFN3OS |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 5.9518 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.06085 |
| Heavy Atoms | 30 |
| Complexity | 1425.8711 |
Chemical Identifiers
| CAS Number | 536712-32-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536712-32-0), with molecular formula C23H15ClFN3OS and molecular weight 435.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 5.9518 indicates that 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-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 50.68 Ų, 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536712-32-0.
What is the molecular formula of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C23H15ClFN3OS.
What is the molecular weight of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 435.06 g/mol.
Where can I buy 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,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-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.