![3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile structure](/static/products/488/488853-66-3.png)
3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile
TL;DR: 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile (CAS 488853-66-3) is a chemical compound with molecular formula C15H19NO2S and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-acetyl-2-propoxyphenyl)methylsulfanyl]propanenitrile
Also Known As: 3-((5-acetyl-2-propoxybenzyl)thio)propanenitrile, 3-[(5-acetyl-2-propoxybenzyl)sulfanyl]propanenitrile, 3-[(5-acetyl-2-propoxyphenyl)methylsulfanyl]propanenitrile
| Molecular Formula | C15H19NO2S |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.11365 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 488853-66-3 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C(=O)C)CSCCC#N |
| InChIKey | DPNIKXYNZQXKBP-UHFFFAOYSA-N |
Product Overview
3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile (CAS 488853-66-3), with molecular formula C15H19NO2S and molecular weight 277.11 g/mol. IUPAC: 3-[(5-acetyl-2-propoxyphenyl)methylsulfanyl]propanenitrile.
Chemical Property Profile of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile
Property Insights of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile. Following Lipinski's Rule of Five, 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile has 0 hydrogen bond donor(s) and 4 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 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile?
The CAS number of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile is 488853-66-3.
What is the molecular formula of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile?
The molecular formula of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile is C15H19NO2S.
What is the molecular weight of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile?
The molecular weight of 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile is 277.11 g/mol.
Where can I buy 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile?
You can request a quote for 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Acetyl-2-propoxybenzyl)sulfanyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.