6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
TL;DR: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine (CAS 57464-45-6) is a chemical compound with molecular formula C11H12N6S and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
Also Known As: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine, 6-(Methylsulfanyl)-N-[(1H-pyrrol-2-yl)methyl]-9H-purin-9-amine
| Molecular Formula | C11H12N6S |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0844 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 57464-45-6 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2NCC3=CC=CN3 |
| InChIKey | MXZMQCQTLGOXQS-UHFFFAOYSA-N |
Product Overview
6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine (CAS 57464-45-6), with molecular formula C11H12N6S and molecular weight 260.08 g/mol. IUPAC: 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine.
Chemical Property Profile of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
Property Insights of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine. Following Lipinski's Rule of Five, 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine has 2 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 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine?
The CAS number of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine is 57464-45-6.
What is the molecular formula of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine?
The molecular formula of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine is C11H12N6S.
What is the molecular weight of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine?
The molecular weight of 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine is 260.08 g/mol.
Where can I buy 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine?
You can request a quote for 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.