F0580-0823
TL;DR: F0580-0823 (CAS 536713-80-1) is a chemical compound with molecular formula C24H18ClN3OS and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0823, 3-(3-chlorophenyl)-2-((4-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-chlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one, 3-(3-CHLOROPHENYL)-2-{[(4-METHYLPHENYL)METHYL]SULFANYL}-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE
| Molecular Formula | C24H18ClN3OS |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 6.12112 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.0859 |
| Heavy Atoms | 30 |
| Complexity | 1437.1239 |
Chemical Identifiers
| CAS Number | 536713-80-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
F0580-0823 (CAS 536713-80-1), with molecular formula C24H18ClN3OS and molecular weight 431.09 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0823
Property Insights of F0580-0823
The XLogP value of 6.12112 indicates that F0580-0823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, F0580-0823 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0580-0823 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 F0580-0823?
The CAS number of F0580-0823 is 536713-80-1.
What is the molecular formula of F0580-0823?
The molecular formula of F0580-0823 is C24H18ClN3OS.
What is the molecular weight of F0580-0823?
The molecular weight of F0580-0823 is 431.09 g/mol.
Where can I buy F0580-0823?
You can request a quote for F0580-0823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0823?
Yes, KEHONG BIO provides custom synthesis services for F0580-0823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.