F0580-0358
TL;DR: F0580-0358 (CAS 536706-05-5) is a chemical compound with molecular formula C25H20FN3OS and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0358, 3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3,5-dimethylphenyl)-2-((2-fluorobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one, 3-[(o-fluorophenyl)methylthio]-2-(3,5-xylyl)-2,4,9-triaza-2,9-dihydro-1H-fluoren-1-one
| Molecular Formula | C25H20FN3OS |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 5.91524 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.1311 |
| Heavy Atoms | 31 |
| Complexity | 1482.2526 |
Chemical Identifiers
| CAS Number | 536706-05-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5F)C |
Product Overview
F0580-0358 (CAS 536706-05-5), with molecular formula C25H20FN3OS and molecular weight 429.13 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0358
Property Insights of F0580-0358
The XLogP value of 5.91524 indicates that F0580-0358 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, F0580-0358 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0580-0358 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 F0580-0358?
The CAS number of F0580-0358 is 536706-05-5.
What is the molecular formula of F0580-0358?
The molecular formula of F0580-0358 is C25H20FN3OS.
What is the molecular weight of F0580-0358?
The molecular weight of F0580-0358 is 429.13 g/mol.
Where can I buy F0580-0358?
You can request a quote for F0580-0358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0358?
Yes, KEHONG BIO provides custom synthesis services for F0580-0358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.