9-苄基-6-甲硫基嘌呤-2-胺
TL;DR: 9-苄基-6-甲硫基嘌呤-2-胺 (CAS 51112-65-3) is a chemical compound with molecular formula C13H13N5S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-苄基-6-甲硫基嘌呤-2-胺
9-benzyl-6-methylsulfanylpurin-2-amine
Also Known As: 9-benzyl-6-methylsulfanylpurin-2-amine, 9-benzyl-6-(methylsulfanyl)-9h-purin-2-amine, 9-BENZYL-6-METHYLSULFANYL-PURIN-2-AMINE, 9-Benzyl-2-amino-6-methylmercapto-9H-purin, 9-Benzyl-6-(methylthio)-9H-purin-2-amine
| Molecular Formula | C13H13N5S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08917 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 51112-65-3 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N |
| InChIKey | YDUZAMOWVCAJTJ-UHFFFAOYSA-N |
Product Overview
9-苄基-6-甲硫基嘌呤-2-胺 (CAS 51112-65-3), with molecular formula C13H13N5S and molecular weight 271.09 g/mol. IUPAC: 9-benzyl-6-methylsulfanylpurin-2-amine.
Chemical Property Profile of 9-苄基-6-甲硫基嘌呤-2-胺
Property Insights of 9-苄基-6-甲硫基嘌呤-2-胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-苄基-6-甲硫基嘌呤-2-胺. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-苄基-6-甲硫基嘌呤-2-胺. Following Lipinski's Rule of Five, 9-苄基-6-甲硫基嘌呤-2-胺 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 9-苄基-6-甲硫基嘌呤-2-胺?
The CAS number of 9-苄基-6-甲硫基嘌呤-2-胺 is 51112-65-3.
What is the molecular formula of 9-苄基-6-甲硫基嘌呤-2-胺?
The molecular formula of 9-苄基-6-甲硫基嘌呤-2-胺 is C13H13N5S.
What is the molecular weight of 9-苄基-6-甲硫基嘌呤-2-胺?
The molecular weight of 9-苄基-6-甲硫基嘌呤-2-胺 is 271.09 g/mol.
Where can I buy 9-苄基-6-甲硫基嘌呤-2-胺?
You can request a quote for 9-苄基-6-甲硫基嘌呤-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-苄基-6-甲硫基嘌呤-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 9-苄基-6-甲硫基嘌呤-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.