F0654-1095
TL;DR: F0654-1095 (CAS 852170-50-4) is a chemical compound with molecular formula C25H22FN5O5S and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: F0654-1095, ethyl 4-(2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamido)benzoate, ethyl 4-(2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetyl]amino]benzoate
| Molecular Formula | C25H22FN5O5S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 2.7408 |
| Topological Polar Surface Area | 125.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.13257 |
| Heavy Atoms | 37 |
| Complexity | 1614.833 |
Chemical Identifiers
| CAS Number | 852170-50-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F |
Product Overview
F0654-1095 (CAS 852170-50-4), with molecular formula C25H22FN5O5S and molecular weight 523.13 g/mol. IUPAC: ethyl 4-[[2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of F0654-1095
Property Insights of F0654-1095
The XLogP value of 2.7408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1095. The TPSA of 125.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1095. Following Lipinski's Rule of Five, F0654-1095 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0654-1095?
The CAS number of F0654-1095 is 852170-50-4.
What is the molecular formula of F0654-1095?
The molecular formula of F0654-1095 is C25H22FN5O5S.
What is the molecular weight of F0654-1095?
The molecular weight of F0654-1095 is 523.13 g/mol.
Where can I buy F0654-1095?
You can request a quote for F0654-1095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1095?
Yes, KEHONG BIO provides custom synthesis services for F0654-1095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.