F0654-0114
TL;DR: F0654-0114 (CAS 852168-96-8) is a chemical compound with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanoate
Also Known As: F0654-0114, methyl 2-((2,6,8-trimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)butanoate, methyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanoate, methyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 0.37932 |
| Topological Polar Surface Area | 96.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 886.94696 |
Chemical Identifiers
| CAS Number | 852168-96-8 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C |
Product Overview
F0654-0114 (CAS 852168-96-8), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: methyl 2-(1,3,7-trimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylbutanoate.
Chemical Property Profile of F0654-0114
Property Insights of F0654-0114
The XLogP value of 0.37932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0114. The TPSA of 96.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0114. Following Lipinski's Rule of Five, F0654-0114 has 0 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 F0654-0114?
The CAS number of F0654-0114 is 852168-96-8.
What is the molecular formula of F0654-0114?
The molecular formula of F0654-0114 is C14H18N4O4S.
What is the molecular weight of F0654-0114?
The molecular weight of F0654-0114 is 338.10 g/mol.
Where can I buy F0654-0114?
You can request a quote for F0654-0114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0114?
Yes, KEHONG BIO provides custom synthesis services for F0654-0114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.