F0654-1163
TL;DR: F0654-1163 (CAS 852171-47-2) is a chemical compound with molecular formula C16H15N5O4S and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1163, 5-(ethylthio)-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-ethylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 5-(ethylsulfanyl)-1,3-dimethyl-7-(4-nitrophenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C16H15N5O4S |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 1.7144 |
| Topological Polar Surface Area | 112.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.08447 |
| Heavy Atoms | 26 |
| Complexity | 1134.5609 |
Chemical Identifiers
| CAS Number | 852171-47-2 |
|---|---|
| SMILES | CCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
F0654-1163 (CAS 852171-47-2), with molecular formula C16H15N5O4S and molecular weight 373.08 g/mol. IUPAC: 5-ethylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1163
Property Insights of F0654-1163
The XLogP value of 1.7144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1163. The TPSA of 112.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1163. Following Lipinski's Rule of Five, F0654-1163 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 F0654-1163?
The CAS number of F0654-1163 is 852171-47-2.
What is the molecular formula of F0654-1163?
The molecular formula of F0654-1163 is C16H15N5O4S.
What is the molecular weight of F0654-1163?
The molecular weight of F0654-1163 is 373.08 g/mol.
Where can I buy F0654-1163?
You can request a quote for F0654-1163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1163?
Yes, KEHONG BIO provides custom synthesis services for F0654-1163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.