F0580-0658
TL;DR: F0580-0658 (CAS 536710-62-0) is a chemical compound with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0658, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C26H20ClN3O3S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 5.8941 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.0914 |
| Heavy Atoms | 34 |
| Complexity | 1557.3953 |
Chemical Identifiers
| CAS Number | 536710-62-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
F0580-0658 (CAS 536710-62-0), with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0658
Property Insights of F0580-0658
The XLogP value of 5.8941 indicates that F0580-0658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0658. Following Lipinski's Rule of Five, F0580-0658 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0658?
The CAS number of F0580-0658 is 536710-62-0.
What is the molecular formula of F0580-0658?
The molecular formula of F0580-0658 is C26H20ClN3O3S.
What is the molecular weight of F0580-0658?
The molecular weight of F0580-0658 is 489.09 g/mol.
Where can I buy F0580-0658?
You can request a quote for F0580-0658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0658?
Yes, KEHONG BIO provides custom synthesis services for F0580-0658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.