![8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6743/674361-07-0.webp)
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674361-07-0) is a chemical compound with molecular formula C20H14ClN5O2S2 and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-benzothiazol-2-ylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione
| Molecular Formula | C20H14ClN5O2S2 |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 3.8859 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.02774 |
| Heavy Atoms | 30 |
| Complexity | 1481.8237 |
Chemical Identifiers
| CAS Number | 674361-07-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=CC=C(C=C5)Cl |
Product Overview
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674361-07-0), with molecular formula C20H14ClN5O2S2 and molecular weight 455.03 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 3.8859 indicates that 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-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 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 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 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 674361-07-0.
What is the molecular formula of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C20H14ClN5O2S2.
What is the molecular weight of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 455.03 g/mol.
Where can I buy 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-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 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(4-chlorophenyl)methyl]-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.