F0580-0314
TL;DR: F0580-0314 (CAS 536705-61-0) is a chemical compound with molecular formula C26H20F2N4O2S and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0314, N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(2,4-difluorophenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(2,4-difluorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H20F2N4O2S |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 5.49284 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.1275 |
| Heavy Atoms | 35 |
| Complexity | 1655.9149 |
Chemical Identifiers
| CAS Number | 536705-61-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=C(C=C5)F)F)C |
Product Overview
F0580-0314 (CAS 536705-61-0), with molecular formula C26H20F2N4O2S and molecular weight 490.13 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0314
Property Insights of F0580-0314
The XLogP value of 5.49284 indicates that F0580-0314 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 F0580-0314. Following Lipinski's Rule of Five, F0580-0314 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0314?
The CAS number of F0580-0314 is 536705-61-0.
What is the molecular formula of F0580-0314?
The molecular formula of F0580-0314 is C26H20F2N4O2S.
What is the molecular weight of F0580-0314?
The molecular weight of F0580-0314 is 490.13 g/mol.
Where can I buy F0580-0314?
You can request a quote for F0580-0314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0314?
Yes, KEHONG BIO provides custom synthesis services for F0580-0314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.