F0654-1172
TL;DR: F0654-1172 (CAS 863003-52-5) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopentylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-1172, 5-cyclopentylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione, 5-(cyclopentylsulfanyl)-1,3-dimethyl-7-(4-nitrophenyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 5-(cyclopentylthio)-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.6371 |
| Topological Polar Surface Area | 112.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1226.5537 |
Chemical Identifiers
| CAS Number | 863003-52-5 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SC4CCCC4)C(=O)N(C1=O)C |
Product Overview
F0654-1172 (CAS 863003-52-5), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-1172
Property Insights of F0654-1172
The XLogP value of 2.6371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-1172. The TPSA of 112.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-1172. Following Lipinski's Rule of Five, F0654-1172 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 F0654-1172?
The CAS number of F0654-1172 is 863003-52-5.
What is the molecular formula of F0654-1172?
The molecular formula of F0654-1172 is C19H19N5O4S.
What is the molecular weight of F0654-1172?
The molecular weight of F0654-1172 is 413.12 g/mol.
Where can I buy F0654-1172?
You can request a quote for F0654-1172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-1172?
Yes, KEHONG BIO provides custom synthesis services for F0654-1172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.