![2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline structure](/static/products/833/833440-96-3.png)
2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
TL;DR: 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline (CAS 833440-96-3) is a chemical compound with molecular formula C18H15N5S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-benzylpurin-6-yl)sulfanylaniline
Also Known As: 2-(9-benzylpurin-6-yl)sulfanylaniline, 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline, 2-((9-benzyl-9H-purin-6-yl)thio)aniline
| Molecular Formula | C18H15N5S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.608 |
| Topological Polar Surface Area | 69.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.10483 |
| Heavy Atoms | 24 |
| Complexity | 981.0548 |
Chemical Identifiers
| CAS Number | 833440-96-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SC4=CC=CC=C4N |
Product Overview
2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline (CAS 833440-96-3), with molecular formula C18H15N5S and molecular weight 333.10 g/mol. IUPAC: 2-(9-benzylpurin-6-yl)sulfanylaniline.
Chemical Property Profile of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
Property Insights of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
The XLogP value of 3.608 indicates that 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline has 1 hydrogen bond donor(s) and 5 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 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline?
The CAS number of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline is 833440-96-3.
What is the molecular formula of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline?
The molecular formula of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline is C18H15N5S.
What is the molecular weight of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline?
The molecular weight of 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline is 333.10 g/mol.
Where can I buy 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline?
You can request a quote for 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.