Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate
TL;DR: Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate (CAS 24723-43-1) is a chemical compound with molecular formula C17H19NOS and molecular weight 285.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-phenylpropoxy)benzenecarboximidothioate
Also Known As: 1,4-benzodioxane-6-thiol, methyl 3-(3-phenylpropoxy)benzenecarboximidothioate, Methyl 3-(3-phenylpropoxy)benzene-1-carboximidothioate, Benzenecarboximidothioicacid, 3-(3-phenylpropoxy)-, methyl ester, hydriodide (1:1)
| Molecular Formula | C17H19NOS |
|---|---|
| Molecular Weight | 285.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.11874 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 24723-43-1 |
|---|---|
| SMILES | CSC(=N)C1=CC(=CC=C1)OCCCC2=CC=CC=C2 |
| InChIKey | JVYBMLMAUVAHMT-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate (CAS 24723-43-1), with molecular formula C17H19NOS and molecular weight 285.12 g/mol. IUPAC: methyl 3-(3-phenylpropoxy)benzenecarboximidothioate.
Chemical Property Profile of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate
Property Insights of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate
The XLogP value of 4.7 indicates that Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate has 1 hydrogen bond donor(s) and 3 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 Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate?
The CAS number of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate is 24723-43-1.
What is the molecular formula of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate?
The molecular formula of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate is C17H19NOS.
What is the molecular weight of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate?
The molecular weight of Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate is 285.12 g/mol.
Where can I buy Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate?
You can request a quote for Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-phenylpropoxy)benzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.