![7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6743/674363-64-5.webp)
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674363-64-5) is a chemical compound with molecular formula C26H26ClN7O2S2 and molecular weight 567.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
| Molecular Formula | C26H26ClN7O2S2 |
|---|---|
| Molecular Weight | 567.13 g/mol |
| LogP | 4.1954 |
| Topological Polar Surface Area | 92.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.1278 |
| Heavy Atoms | 38 |
| Complexity | 1700.3508 |
Chemical Identifiers
| CAS Number | 674363-64-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCSC5=NC6=CC=CC=C6S5 |
Product Overview
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674363-64-5), with molecular formula C26H26ClN7O2S2 and molecular weight 567.13 g/mol. IUPAC: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 4.1954 indicates that 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 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 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 674363-64-5.
What is the molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C26H26ClN7O2S2.
What is the molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 567.13 g/mol.
Where can I buy 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.