1-benzyl-7H-purine-6-thione
TL;DR: 1-benzyl-7H-purine-6-thione (CAS 7026-43-9) is a chemical compound with molecular formula C12H10N4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7H-purine-6-thione
Also Known As: 1-benzyl-7H-purine-6-thione, 1-Benzyl-1,9-dihydro-6H-purine-6-thione, 1-Benzyl-6,7-dimethoxy-3,4-dihydroisochinolin*Hydrochlorid
| Molecular Formula | C12H10N4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.53719 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06262 |
| Heavy Atoms | 17 |
| Complexity | 699.1024 |
Chemical Identifiers
| CAS Number | 7026-43-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(C2=S)NC=N3 |
Product Overview
1-benzyl-7H-purine-6-thione (CAS 7026-43-9), with molecular formula C12H10N4S and molecular weight 242.06 g/mol. IUPAC: 1-benzyl-7H-purine-6-thione.
Chemical Property Profile of 1-benzyl-7H-purine-6-thione
Property Insights of 1-benzyl-7H-purine-6-thione
The XLogP value of 2.53719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-7H-purine-6-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 1-benzyl-7H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-7H-purine-6-thione has 1 hydrogen bond donor(s) and 3 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 1-benzyl-7H-purine-6-thione?
The CAS number of 1-benzyl-7H-purine-6-thione is 7026-43-9.
What is the molecular formula of 1-benzyl-7H-purine-6-thione?
The molecular formula of 1-benzyl-7H-purine-6-thione is C12H10N4S.
What is the molecular weight of 1-benzyl-7H-purine-6-thione?
The molecular weight of 1-benzyl-7H-purine-6-thione is 242.06 g/mol.
Where can I buy 1-benzyl-7H-purine-6-thione?
You can request a quote for 1-benzyl-7H-purine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-7H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-7H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.