F0580-0088
TL;DR: F0580-0088 (CAS 537668-53-4) is a chemical compound with molecular formula C19H14Cl2N4O2S and molecular weight 432.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0088, N-(3,4-dichlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide, N-(3,4-dichlorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(3,4-dichlorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
| Molecular Formula | C19H14Cl2N4O2S |
|---|---|
| Molecular Weight | 432.02 g/mol |
| LogP | 4.4524 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.02145 |
| Heavy Atoms | 28 |
| Complexity | 1282.3899 |
Chemical Identifiers
| CAS Number | 537668-53-4 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
F0580-0088 (CAS 537668-53-4), with molecular formula C19H14Cl2N4O2S and molecular weight 432.02 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0088
Property Insights of F0580-0088
The XLogP value of 4.4524 indicates that F0580-0088 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 F0580-0088. Following Lipinski's Rule of Five, F0580-0088 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 F0580-0088?
The CAS number of F0580-0088 is 537668-53-4.
What is the molecular formula of F0580-0088?
The molecular formula of F0580-0088 is C19H14Cl2N4O2S.
What is the molecular weight of F0580-0088?
The molecular weight of F0580-0088 is 432.02 g/mol.
Where can I buy F0580-0088?
You can request a quote for F0580-0088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0088?
Yes, KEHONG BIO provides custom synthesis services for F0580-0088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.