F0580-0645
TL;DR: F0580-0645 (CAS 536710-49-3) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0645, 3-(4-ethoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one, G856-1124, 3-(4-ethoxyphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-ethoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.2407 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1505.6987 |
Chemical Identifiers
| CAS Number | 536710-49-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5 |
Product Overview
F0580-0645 (CAS 536710-49-3), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0645
Property Insights of F0580-0645
The XLogP value of 5.2407 indicates that F0580-0645 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 F0580-0645. Following Lipinski's Rule of Five, F0580-0645 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 F0580-0645?
The CAS number of F0580-0645 is 536710-49-3.
What is the molecular formula of F0580-0645?
The molecular formula of F0580-0645 is C26H21N3O3S.
What is the molecular weight of F0580-0645?
The molecular weight of F0580-0645 is 455.13 g/mol.
Where can I buy F0580-0645?
You can request a quote for F0580-0645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0645?
Yes, KEHONG BIO provides custom synthesis services for F0580-0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.