F0580-0659
TL;DR: F0580-0659 (CAS 536710-63-1) is a chemical compound with molecular formula C22H19FN4O2S and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0659, 3-(4-fluorophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(4-fluorophenyl)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C22H19FN4O2S |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 3.7206 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.12128 |
| Heavy Atoms | 30 |
| Complexity | 1306.7146 |
Chemical Identifiers
| CAS Number | 536710-63-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
F0580-0659 (CAS 536710-63-1), with molecular formula C22H19FN4O2S and molecular weight 422.12 g/mol. IUPAC: 3-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0659
Property Insights of F0580-0659
The XLogP value of 3.7206 indicates that F0580-0659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0659. Following Lipinski's Rule of Five, F0580-0659 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0659?
The CAS number of F0580-0659 is 536710-63-1.
What is the molecular formula of F0580-0659?
The molecular formula of F0580-0659 is C22H19FN4O2S.
What is the molecular weight of F0580-0659?
The molecular weight of F0580-0659 is 422.12 g/mol.
Where can I buy F0580-0659?
You can request a quote for F0580-0659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0659?
Yes, KEHONG BIO provides custom synthesis services for F0580-0659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.