F0654-0021
TL;DR: F0654-0021 (CAS 852167-95-4) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0021, 5-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,7-trimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 1.01702 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 1230.6918 |
Chemical Identifiers
| CAS Number | 852167-95-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0021 (CAS 852167-95-4), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0021
Property Insights of F0654-0021
The XLogP value of 1.01702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0021. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0021. Following Lipinski's Rule of Five, F0654-0021 has 0 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 F0654-0021?
The CAS number of F0654-0021 is 852167-95-4.
What is the molecular formula of F0654-0021?
The molecular formula of F0654-0021 is C19H19N5O3S.
What is the molecular weight of F0654-0021?
The molecular weight of F0654-0021 is 397.12 g/mol.
Where can I buy F0654-0021?
You can request a quote for F0654-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0021?
Yes, KEHONG BIO provides custom synthesis services for F0654-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.