F1614-0235
TL;DR: F1614-0235 (CAS 672344-55-7) is a chemical compound with molecular formula C25H29ClN8O2S and molecular weight 540.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(3-chlorophenyl)piperazin-1-yl]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: F1614-0235, 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione, 7-[2-(4,6-Dimethylpyrimidin-2-ylthio)ethyl]-8-[4-(3-chlorophenyl)piperazinyl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-8-[4-(3-chlorophenyl)piperazinyl]- 1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C25H29ClN8O2S |
|---|---|
| Molecular Weight | 540.18 g/mol |
| LogP | 2.61284 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.18225 |
| Heavy Atoms | 37 |
| Complexity | 1566.0878 |
Chemical Identifiers
| CAS Number | 672344-55-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl)N(C(=O)N(C3=O)C)C)C |
Product Overview
F1614-0235 (CAS 672344-55-7), with molecular formula C25H29ClN8O2S and molecular weight 540.18 g/mol. IUPAC: 8-[4-(3-chlorophenyl)piperazin-1-yl]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of F1614-0235
Property Insights of F1614-0235
The XLogP value of 2.61284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1614-0235. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F1614-0235. Following Lipinski's Rule of Five, F1614-0235 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1614-0235?
The CAS number of F1614-0235 is 672344-55-7.
What is the molecular formula of F1614-0235?
The molecular formula of F1614-0235 is C25H29ClN8O2S.
What is the molecular weight of F1614-0235?
The molecular weight of F1614-0235 is 540.18 g/mol.
Where can I buy F1614-0235?
You can request a quote for F1614-0235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1614-0235?
Yes, KEHONG BIO provides custom synthesis services for F1614-0235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.