(6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate
TL;DR: (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate (CAS 141731-75-1) is a chemical compound with molecular formula C14H21N5O2S and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate
Also Known As: KST-1A1366, (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate, [6-(propylsulfanyl)-9h-purin-9-yl]methyl butylcarbamate, (6-(Propylthio)-9H-purin-9-yl)methyl butylcarbamate, [6-(Propylsulfanyl)-9H-purin-9-yl]methyl hydrogen butylcarbonimidate
| Molecular Formula | C14H21N5O2S |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.1416 |
| Heavy Atoms | 22 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 141731-75-1 |
|---|---|
| SMILES | CCCCNC(=O)OCN1C=NC2=C1N=CN=C2SCCC |
| InChIKey | ONBGMWLHMNYGKS-UHFFFAOYSA-N |
Product Overview
(6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate (CAS 141731-75-1), with molecular formula C14H21N5O2S and molecular weight 323.14 g/mol. IUPAC: (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate.
Chemical Property Profile of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate
Property Insights of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate. Following Lipinski's Rule of Five, (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate 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-butylcarbamate?
The CAS number of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate is 141731-75-1.
What is the molecular formula of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate?
The molecular formula of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate is C14H21N5O2S.
What is the molecular weight of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate?
The molecular weight of (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate is 323.14 g/mol.
Where can I buy (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate?
You can request a quote for (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate 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-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.