F0580-1037
TL;DR: F0580-1037 (CAS 536716-64-0) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-1037, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 4.2699 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 1435.8004 |
Chemical Identifiers
| CAS Number | 536716-64-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53 |
Product Overview
F0580-1037 (CAS 536716-64-0), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-1037
Property Insights of F0580-1037
The XLogP value of 4.2699 indicates that F0580-1037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1037. Following Lipinski's Rule of Five, F0580-1037 has 1 hydrogen bond donor(s) and 6 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 F0580-1037?
The CAS number of F0580-1037 is 536716-64-0.
What is the molecular formula of F0580-1037?
The molecular formula of F0580-1037 is C24H23N5O4S.
What is the molecular weight of F0580-1037?
The molecular weight of F0580-1037 is 477.15 g/mol.
Where can I buy F0580-1037?
You can request a quote for F0580-1037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1037?
Yes, KEHONG BIO provides custom synthesis services for F0580-1037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.