F0580-1072
TL;DR: F0580-1072 (CAS 536717-00-7) is a chemical compound with molecular formula C21H14N6O4S2 and molecular weight 478.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: F0580-1072, 2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C21H14N6O4S2 |
|---|---|
| Molecular Weight | 478.05 g/mol |
| LogP | 3.9625 |
| Topological Polar Surface Area | 135.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.0518 |
| Heavy Atoms | 33 |
| Complexity | 1558.043 |
Chemical Identifiers
| CAS Number | 536717-00-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=NC=CS4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0580-1072 (CAS 536717-00-7), with molecular formula C21H14N6O4S2 and molecular weight 478.05 g/mol. IUPAC: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F0580-1072
Property Insights of F0580-1072
The XLogP value of 3.9625 indicates that F0580-1072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1072. Following Lipinski's Rule of Five, F0580-1072 has 2 hydrogen bond donor(s) and 8 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 F0580-1072?
The CAS number of F0580-1072 is 536717-00-7.
What is the molecular formula of F0580-1072?
The molecular formula of F0580-1072 is C21H14N6O4S2.
What is the molecular weight of F0580-1072?
The molecular weight of F0580-1072 is 478.05 g/mol.
Where can I buy F0580-1072?
You can request a quote for F0580-1072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1072?
Yes, KEHONG BIO provides custom synthesis services for F0580-1072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.