F0580-1061
TL;DR: F0580-1061 (CAS 536716-88-8) is a chemical compound with molecular formula C26H21N5O4S and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-1061, N-(3,5-dimethylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(3,5-dimethylphenyl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(3,5-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H21N5O4S |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 5.12284 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.13144 |
| Heavy Atoms | 36 |
| Complexity | 1685.9136 |
Chemical Identifiers
| CAS Number | 536716-88-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53)C |
Product Overview
F0580-1061 (CAS 536716-88-8), with molecular formula C26H21N5O4S and molecular weight 499.13 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-1061
Property Insights of F0580-1061
The XLogP value of 5.12284 indicates that F0580-1061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1061. Following Lipinski's Rule of Five, F0580-1061 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-1061?
The CAS number of F0580-1061 is 536716-88-8.
What is the molecular formula of F0580-1061?
The molecular formula of F0580-1061 is C26H21N5O4S.
What is the molecular weight of F0580-1061?
The molecular weight of F0580-1061 is 499.13 g/mol.
Where can I buy F0580-1061?
You can request a quote for F0580-1061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1061?
Yes, KEHONG BIO provides custom synthesis services for F0580-1061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.