F0654-0042
TL;DR: F0654-0042 (CAS 852168-16-2) is a chemical compound with molecular formula C17H15Cl2N5O3S and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-0042, N-(3,4-dichlorophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-(3,4-dichlorophenyl)-2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(3,4-dichlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
| Molecular Formula | C17H15Cl2N5O3S |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 2.37322 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.02725 |
| Heavy Atoms | 28 |
| Complexity | 1222.1091 |
Chemical Identifiers
| CAS Number | 852168-16-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0042 (CAS 852168-16-2), with molecular formula C17H15Cl2N5O3S and molecular weight 439.03 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-0042
Property Insights of F0654-0042
The XLogP value of 2.37322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0042. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0042. Following Lipinski's Rule of Five, F0654-0042 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 F0654-0042?
The CAS number of F0654-0042 is 852168-16-2.
What is the molecular formula of F0654-0042?
The molecular formula of F0654-0042 is C17H15Cl2N5O3S.
What is the molecular weight of F0654-0042?
The molecular weight of F0654-0042 is 439.03 g/mol.
Where can I buy F0654-0042?
You can request a quote for F0654-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0042?
Yes, KEHONG BIO provides custom synthesis services for F0654-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.