F1614-0068
TL;DR: F1614-0068 (CAS 674338-32-0) is a chemical compound with molecular formula C26H27ClN10O2S and molecular weight 578.17 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]-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
Also Known As: F1614-0068, 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione, 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[4-(3-chlorophenyl)piperazinyl]-3-methyl-7-[3-(1-phenyl(1,2,3,4-tetraazol-5- ylthio))propyl]-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C26H27ClN10O2S |
|---|---|
| Molecular Weight | 578.17 g/mol |
| LogP | 2.5614 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.1728 |
| Heavy Atoms | 40 |
| Complexity | 1754.9635 |
Chemical Identifiers
| CAS Number | 674338-32-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
F1614-0068 (CAS 674338-32-0), with molecular formula C26H27ClN10O2S and molecular weight 578.17 g/mol. IUPAC: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione.
Chemical Property Profile of F1614-0068
Property Insights of F1614-0068
The XLogP value of 2.5614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1614-0068. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for F1614-0068. Following Lipinski's Rule of Five, F1614-0068 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1614-0068?
The CAS number of F1614-0068 is 674338-32-0.
What is the molecular formula of F1614-0068?
The molecular formula of F1614-0068 is C26H27ClN10O2S.
What is the molecular weight of F1614-0068?
The molecular weight of F1614-0068 is 578.17 g/mol.
Where can I buy F1614-0068?
You can request a quote for F1614-0068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1614-0068?
Yes, KEHONG BIO provides custom synthesis services for F1614-0068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.