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9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
TL;DR: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione (CAS 34396-96-8) is a chemical compound with molecular formula C14H14N4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
Also Known As: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione, 9-[(2,5-Dimethylphenyl)methyl]-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C14H14N4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.15403 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0939 |
| Heavy Atoms | 19 |
| Complexity | 800.55634 |
Chemical Identifiers
| CAS Number | 34396-96-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=NC3=C2NC=NC3=S |
Product Overview
9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione (CAS 34396-96-8), with molecular formula C14H14N4S and molecular weight 270.09 g/mol. IUPAC: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione.
Chemical Property Profile of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
Property Insights of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
The XLogP value of 3.15403 indicates that 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-[(2,5-dimethylphenyl)methyl]-3H-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 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione?
The CAS number of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione is 34396-96-8.
What is the molecular formula of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione?
The molecular formula of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione is C14H14N4S.
What is the molecular weight of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione?
The molecular weight of 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione is 270.09 g/mol.
Where can I buy 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione?
You can request a quote for 9-[(2,5-dimethylphenyl)methyl]-3H-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 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.