F0580-0757
TL;DR: F0580-0757 (CAS 536712-48-8) is a chemical compound with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0757, 3-(3-chlorophenyl)-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(3-chlorophenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H23ClN4O2S |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.871 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.12302 |
| Heavy Atoms | 32 |
| Complexity | 1371.6952 |
Chemical Identifiers
| CAS Number | 536712-48-8 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
F0580-0757 (CAS 536712-48-8), with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0757
Property Insights of F0580-0757
The XLogP value of 4.871 indicates that F0580-0757 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 F0580-0757. Following Lipinski's Rule of Five, F0580-0757 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 F0580-0757?
The CAS number of F0580-0757 is 536712-48-8.
What is the molecular formula of F0580-0757?
The molecular formula of F0580-0757 is C24H23ClN4O2S.
What is the molecular weight of F0580-0757?
The molecular weight of F0580-0757 is 466.12 g/mol.
Where can I buy F0580-0757?
You can request a quote for F0580-0757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0757?
Yes, KEHONG BIO provides custom synthesis services for F0580-0757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.