F0654-1164
TL;DR: F0654-1164 (CAS 852171-49-4) is a chemical compound with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(4-nitrophenyl)-5-propylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1164, 1,3-dimethyl-7-(4-nitrophenyl)-5-(propylthio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-7-(4-nitrophenyl)-5-propylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-7-(4-nitrophenyl)-5-(propylsulfanyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 2.1045 |
| Topological Polar Surface Area | 112.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 1151.1731 |
Chemical Identifiers
| CAS Number | 852171-49-4 |
|---|---|
| SMILES | CCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
F0654-1164 (CAS 852171-49-4), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: 1,3-dimethyl-7-(4-nitrophenyl)-5-propylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1164
Property Insights of F0654-1164
The XLogP value of 2.1045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1164. The TPSA of 112.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1164. Following Lipinski's Rule of Five, F0654-1164 has 0 hydrogen bond donor(s) and 7 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 F0654-1164?
The CAS number of F0654-1164 is 852171-49-4.
What is the molecular formula of F0654-1164?
The molecular formula of F0654-1164 is C17H17N5O4S.
What is the molecular weight of F0654-1164?
The molecular weight of F0654-1164 is 387.10 g/mol.
Where can I buy F0654-1164?
You can request a quote for F0654-1164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1164?
Yes, KEHONG BIO provides custom synthesis services for F0654-1164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.