F0580-0084
TL;DR: F0580-0084 (CAS 537668-49-8) is a chemical compound with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0084, N-(4-chlorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(4-chlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C19H15ClN4O2S |
|---|---|
| Molecular Weight | 398.06 g/mol |
| LogP | 3.799 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.06042 |
| Heavy Atoms | 27 |
| Complexity | 1214.3157 |
Chemical Identifiers
| CAS Number | 537668-49-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
F0580-0084 (CAS 537668-49-8), with molecular formula C19H15ClN4O2S and molecular weight 398.06 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0084
Property Insights of F0580-0084
The XLogP value of 3.799 indicates that F0580-0084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0084. Following Lipinski's Rule of Five, F0580-0084 has 2 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 F0580-0084?
The CAS number of F0580-0084 is 537668-49-8.
What is the molecular formula of F0580-0084?
The molecular formula of F0580-0084 is C19H15ClN4O2S.
What is the molecular weight of F0580-0084?
The molecular weight of F0580-0084 is 398.06 g/mol.
Where can I buy F0580-0084?
You can request a quote for F0580-0084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0084?
Yes, KEHONG BIO provides custom synthesis services for F0580-0084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.