F0654-0014
TL;DR: F0654-0014 (CAS 852167-88-5) is a chemical compound with molecular formula C17H23N5O3S and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0014, 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-{[2-(azepan-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 | C17H23N5O3S |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 0.83032 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.15216 |
| Heavy Atoms | 26 |
| Complexity | 957.4954 |
Chemical Identifiers
| CAS Number | 852167-88-5 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C |
Product Overview
F0654-0014 (CAS 852167-88-5), with molecular formula C17H23N5O3S and molecular weight 377.15 g/mol. IUPAC: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of F0654-0014
Property Insights of F0654-0014
The XLogP value of 0.83032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0014. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0014. Following Lipinski's Rule of Five, F0654-0014 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 F0654-0014?
The CAS number of F0654-0014 is 852167-88-5.
What is the molecular formula of F0654-0014?
The molecular formula of F0654-0014 is C17H23N5O3S.
What is the molecular weight of F0654-0014?
The molecular weight of F0654-0014 is 377.15 g/mol.
Where can I buy F0654-0014?
You can request a quote for F0654-0014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0014?
Yes, KEHONG BIO provides custom synthesis services for F0654-0014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.