F0654-1113
TL;DR: F0654-1113 (CAS 852170-85-5) is a chemical compound with molecular formula C19H16FN7O3S2 and molecular weight 473.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: F0654-1113, 2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[2-(4-FLUOROPHENYL)-6,8-DIMETHYL-5,7-DIOXO-5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDIN-4-YL]SULFANYL}-N-(5-METHYL-1,3,4-THIADIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C19H16FN7O3S2 |
|---|---|
| Molecular Weight | 473.07 g/mol |
| LogP | 1.72402 |
| Topological Polar Surface Area | 124.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.074 |
| Heavy Atoms | 32 |
| Complexity | 1461.0408 |
Chemical Identifiers
| CAS Number | 852170-85-5 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F |
Product Overview
F0654-1113 (CAS 852170-85-5), with molecular formula C19H16FN7O3S2 and molecular weight 473.07 g/mol. IUPAC: 2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of F0654-1113
Property Insights of F0654-1113
The XLogP value of 1.72402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1113. The TPSA of 124.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1113. Following Lipinski's Rule of Five, F0654-1113 has 1 hydrogen bond donor(s) and 9 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 F0654-1113?
The CAS number of F0654-1113 is 852170-85-5.
What is the molecular formula of F0654-1113?
The molecular formula of F0654-1113 is C19H16FN7O3S2.
What is the molecular weight of F0654-1113?
The molecular weight of F0654-1113 is 473.07 g/mol.
Where can I buy F0654-1113?
You can request a quote for F0654-1113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1113?
Yes, KEHONG BIO provides custom synthesis services for F0654-1113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.