F0654-1458
TL;DR: F0654-1458 (CAS 847191-70-2) is a chemical compound with molecular formula C20H16ClN5O3S2 and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-1458, N-(4-chlorophenyl)-2-((6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-(4-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide, N-(4-chlorophenyl)-2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C20H16ClN5O3S2 |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 3.1399 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0383 |
| Heavy Atoms | 31 |
| Complexity | 1395.8456 |
Chemical Identifiers
| CAS Number | 847191-70-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C1=O)C |
Product Overview
F0654-1458 (CAS 847191-70-2), with molecular formula C20H16ClN5O3S2 and molecular weight 473.04 g/mol. IUPAC: N-(4-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-1458
Property Insights of F0654-1458
The XLogP value of 3.1399 indicates that F0654-1458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1458. Following Lipinski's Rule of Five, F0654-1458 has 1 hydrogen bond donor(s) and 7 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 F0654-1458?
The CAS number of F0654-1458 is 847191-70-2.
What is the molecular formula of F0654-1458?
The molecular formula of F0654-1458 is C20H16ClN5O3S2.
What is the molecular weight of F0654-1458?
The molecular weight of F0654-1458 is 473.04 g/mol.
Where can I buy F0654-1458?
You can request a quote for F0654-1458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1458?
Yes, KEHONG BIO provides custom synthesis services for F0654-1458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.