![Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate structure](/static/products/354/354775-25-0.png)
Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate
TL;DR: Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate (CAS 354775-25-0) is a chemical compound with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate
Also Known As: propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate, propyl 5-[5-(2,2-dicyanovinyl)(2-furyl)]-2-chlorobenzoate, PROPYL 2-CHLORO-5-[5-(2,2-DICYANOETH-1-EN-1-YL)FURAN-2-YL]BENZOATE
| Molecular Formula | C18H13ClN2O3 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 4.59736 |
| Topological Polar Surface Area | 87.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.06146 |
| Heavy Atoms | 24 |
| Complexity | 853.1195 |
Chemical Identifiers
| CAS Number | 354775-25-0 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C#N)Cl |
Product Overview
Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate (CAS 354775-25-0), with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol. IUPAC: propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate.
Chemical Property Profile of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate
Property Insights of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate
The XLogP value of 4.59736 indicates that Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate. Following Lipinski's Rule of Five, Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate has 0 hydrogen bond donor(s) and 5 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 Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate?
The CAS number of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate is 354775-25-0.
What is the molecular formula of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate?
The molecular formula of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate is C18H13ClN2O3.
What is the molecular weight of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate?
The molecular weight of Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate is 340.06 g/mol.
Where can I buy Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate?
You can request a quote for Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-chloro-5-[5-(2,2-dicyanoethenyl)furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.