Purine-6(3H)-thione, 3-benzyl-
TL;DR: Purine-6(3H)-thione, 3-benzyl- (CAS 7151-30-6) 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.
3-benzyl-7H-purine-6-thione
Also Known As: 3-benzyl-7H-purine-6-thione, Purine-6(3H)-thione, 3-benzyl-, 3-benzyl-3H-purine-6(7H)-thione, 3-Benzyl-9H-purine-6(3H)-thione, 3-Benzyl-3,7-dihydro-6H-purine-6-thione
| 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 | 7151-30-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC(=S)C3=C2N=CN3 |
Product Overview
Purine-6(3H)-thione, 3-benzyl- (CAS 7151-30-6), with molecular formula C12H10N4S and molecular weight 242.06 g/mol. IUPAC: 3-benzyl-7H-purine-6-thione.
Chemical Property Profile of Purine-6(3H)-thione, 3-benzyl-
Property Insights of Purine-6(3H)-thione, 3-benzyl-
The XLogP value of 2.53719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine-6(3H)-thione, 3-benzyl-. With a topological polar surface area (TPSA) of 46.5 Ų, Purine-6(3H)-thione, 3-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purine-6(3H)-thione, 3-benzyl- 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 Purine-6(3H)-thione, 3-benzyl-?
The CAS number of Purine-6(3H)-thione, 3-benzyl- is 7151-30-6.
What is the molecular formula of Purine-6(3H)-thione, 3-benzyl-?
The molecular formula of Purine-6(3H)-thione, 3-benzyl- is C12H10N4S.
What is the molecular weight of Purine-6(3H)-thione, 3-benzyl-?
The molecular weight of Purine-6(3H)-thione, 3-benzyl- is 242.06 g/mol.
Where can I buy Purine-6(3H)-thione, 3-benzyl-?
You can request a quote for Purine-6(3H)-thione, 3-benzyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine-6(3H)-thione, 3-benzyl-?
Yes, KEHONG BIO provides custom synthesis services for Purine-6(3H)-thione, 3-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.