(6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate
TL;DR: (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate (CAS 52497-64-0) is a chemical compound with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate
Also Known As: N-Hydroxychlorphentermine, KST-1A5322, (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate, [6-(propylsulfanyl)-9h-purin-9-yl]methyl methylcarbamate, Benzenamine,N-[[(diethylamino)thioxomethyl]thio]
| Molecular Formula | C11H15N5O2S |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.09464 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 52497-64-0 |
|---|---|
| SMILES | CCCSC1=NC=NC2=C1N=CN2COC(=O)NC |
| InChIKey | QSDOMOCSKWJNAW-UHFFFAOYSA-N |
Product Overview
(6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate (CAS 52497-64-0), with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol. IUPAC: (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate.
Chemical Property Profile of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate
Property Insights of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate. Following Lipinski's Rule of Five, (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate has 1 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 (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate?
The CAS number of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate is 52497-64-0.
What is the molecular formula of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate?
The molecular formula of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate is C11H15N5O2S.
What is the molecular weight of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate?
The molecular weight of (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate is 281.09 g/mol.
Where can I buy (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate?
You can request a quote for (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (6-propylsulfanylpurin-9-yl)methyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.