Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
TL;DR: Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate (CAS 327077-76-9) is a chemical compound with molecular formula C11H9Cl2NO2S and molecular weight 288.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
Also Known As: methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
| Molecular Formula | C11H9Cl2NO2S |
|---|---|
| Molecular Weight | 288.97 g/mol |
| LogP | 3.29178 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.9731 |
| Heavy Atoms | 17 |
| Complexity | 459.27493 |
Chemical Identifiers
| CAS Number | 327077-76-9 |
|---|---|
| SMILES | COC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)SC#N |
Product Overview
Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate (CAS 327077-76-9), with molecular formula C11H9Cl2NO2S and molecular weight 288.97 g/mol. IUPAC: methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate.
Chemical Property Profile of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
Property Insights of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
The XLogP value of 3.29178 indicates that Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate 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 Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate?
The CAS number of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate is 327077-76-9.
What is the molecular formula of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate?
The molecular formula of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate is C11H9Cl2NO2S.
What is the molecular weight of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate?
The molecular weight of Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate is 288.97 g/mol.
Where can I buy Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate?
You can request a quote for Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.