F0654-0377
TL;DR: F0654-0377 (CAS 863002-54-4) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 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-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid
Also Known As: F0654-0377, 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid, 2-((6,8-dimethyl-5,7-dioxo-2-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetic acid, 2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetic acid
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.1564 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 855.70966 |
Chemical Identifiers
| CAS Number | 863002-54-4 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SCC(=O)O)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0377 (CAS 863002-54-4), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetic acid.
Chemical Property Profile of F0654-0377
Property Insights of F0654-0377
The XLogP value of 0.1564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0377. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0377. Following Lipinski's Rule of Five, F0654-0377 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 F0654-0377?
The CAS number of F0654-0377 is 863002-54-4.
What is the molecular formula of F0654-0377?
The molecular formula of F0654-0377 is C13H16N4O4S.
What is the molecular weight of F0654-0377?
The molecular weight of F0654-0377 is 324.09 g/mol.
Where can I buy F0654-0377?
You can request a quote for F0654-0377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0377?
Yes, KEHONG BIO provides custom synthesis services for F0654-0377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.