F0654-0893
TL;DR: F0654-0893 (CAS 896677-65-9) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid
Also Known As: F0654-0893, 2-((6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetic acid, 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid, 2-({6,8-dimethyl-5,7-dioxo-2-phenyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetic acid
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 0.8709 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 1089.2156 |
Chemical Identifiers
| CAS Number | 896677-65-9 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)O)C(=O)N(C1=O)C |
Product Overview
F0654-0893 (CAS 896677-65-9), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid.
Chemical Property Profile of F0654-0893
Property Insights of F0654-0893
The XLogP value of 0.8709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0893. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0893. Following Lipinski's Rule of Five, F0654-0893 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 F0654-0893?
The CAS number of F0654-0893 is 896677-65-9.
What is the molecular formula of F0654-0893?
The molecular formula of F0654-0893 is C16H14N4O4S.
What is the molecular weight of F0654-0893?
The molecular weight of F0654-0893 is 358.07 g/mol.
Where can I buy F0654-0893?
You can request a quote for F0654-0893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0893?
Yes, KEHONG BIO provides custom synthesis services for F0654-0893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.