N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide
TL;DR: N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide (CAS 57464-54-7) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide
Also Known As: N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide, N-(6-methylsulfanyl-purin-9-yl)-N-oxiranylmethyl-acetamide, 6-(Methylthio)-9-<(2,3,4-trihydroxybutyl)amino>-9H-purin, N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamid, N-[6-(Methylsulfanyl)-9H-purin-9-yl]-N-[(oxiran-2-yl)methyl]acetamide
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 57464-54-7 |
|---|---|
| SMILES | CC(=O)N(CC1CO1)N2C=NC3=C2N=CN=C3SC |
| InChIKey | GWXFWUNPXVGUDT-UHFFFAOYSA-N |
Product Overview
N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide (CAS 57464-54-7), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide.
Chemical Property Profile of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide
Property Insights of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide has 0 hydrogen bond donor(s) and 6 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 N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide?
The CAS number of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide is 57464-54-7.
What is the molecular formula of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide?
The molecular formula of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide is C11H13N5O2S.
What is the molecular weight of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide?
The molecular weight of N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide is 279.08 g/mol.
Where can I buy N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide?
You can request a quote for N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methylsulfanylpurin-9-yl)-N-(oxiran-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.