![6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol structure](/static/products/6465/646510-75-0.webp)
6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol
TL;DR: 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-75-0) is a chemical compound with molecular formula C12H9BrN4OS and molecular weight 335.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one
Also Known As: 6-(2-Bromobenzylthio)2-hydroxypurine, 0.05 H2O, 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol, 6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one, 6-[(2-bromobenzyl)sulfanyl]-3,7-dihydro-2h-purin-2-one
| Molecular Formula | C12H9BrN4OS |
|---|---|
| Molecular Weight | 335.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.96805 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 646510-75-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC(=O)NC3=C2NC=N3)Br |
| InChIKey | YHFOWZBCZFKUFL-UHFFFAOYSA-N |
Product Overview
6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-75-0), with molecular formula C12H9BrN4OS and molecular weight 335.97 g/mol. IUPAC: 6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol
Property Insights of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol. Following Lipinski's Rule of Five, 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol has 2 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 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol?
The CAS number of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol is 646510-75-0.
What is the molecular formula of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular formula of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol is C12H9BrN4OS.
What is the molecular weight of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol?
The molecular weight of 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol is 335.97 g/mol.
Where can I buy 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol?
You can request a quote for 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.