F0654-0039
TL;DR: F0654-0039 (CAS 852168-13-9) is a chemical compound with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-0039, N-(4-chlorophenyl)-2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-(4-chlorophenyl)-2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, N-(4-chlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
| Molecular Formula | C17H16ClN5O3S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 1.71982 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.06622 |
| Heavy Atoms | 27 |
| Complexity | 1154.4182 |
Chemical Identifiers
| CAS Number | 852168-13-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0039 (CAS 852168-13-9), with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol. IUPAC: N-(4-chlorophenyl)-2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-0039
Property Insights of F0654-0039
The XLogP value of 1.71982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0039. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0039. Following Lipinski's Rule of Five, F0654-0039 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 F0654-0039?
The CAS number of F0654-0039 is 852168-13-9.
What is the molecular formula of F0654-0039?
The molecular formula of F0654-0039 is C17H16ClN5O3S.
What is the molecular weight of F0654-0039?
The molecular weight of F0654-0039 is 405.07 g/mol.
Where can I buy F0654-0039?
You can request a quote for F0654-0039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0039?
Yes, KEHONG BIO provides custom synthesis services for F0654-0039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.