F0580-0817
TL;DR: F0580-0817 (CAS 536713-68-5) 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.
3-(3-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0817, 3-(3-CHLOROPHENYL)-2-{[(4-FLUOROPHENYL)METHYL]SULFANYL}-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE, 3-(3-chlorophenyl)-2-((4-fluorobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-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 | 1443.1211 |
Chemical Identifiers
| CAS Number | 536713-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)F)C5=CC(=CC=C5)Cl |
Product Overview
F0580-0817 (CAS 536713-68-5), with molecular formula C23H15ClFN3OS and molecular weight 435.06 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0817
Property Insights of F0580-0817
The XLogP value of 5.9518 indicates that F0580-0817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, F0580-0817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0580-0817 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 F0580-0817?
The CAS number of F0580-0817 is 536713-68-5.
What is the molecular formula of F0580-0817?
The molecular formula of F0580-0817 is C23H15ClFN3OS.
What is the molecular weight of F0580-0817?
The molecular weight of F0580-0817 is 435.06 g/mol.
Where can I buy F0580-0817?
You can request a quote for F0580-0817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0817?
Yes, KEHONG BIO provides custom synthesis services for F0580-0817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.