1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate
TL;DR: 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate (CAS 60307-79-1) is a chemical compound with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate
Also Known As: 1-cyanoethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
| Molecular Formula | C12H9Cl2NO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.99594 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 60307-79-1 |
|---|---|
| SMILES | CC(C#N)OC(=O)C=COC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | SRWHPAWQOPVCQU-UHFFFAOYSA-N |
Product Overview
1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate (CAS 60307-79-1), with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol. IUPAC: 1-cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate.
Chemical Property Profile of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate
Property Insights of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate
The XLogP value of 3.3 indicates that 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate 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 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate?
The CAS number of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate is 60307-79-1.
What is the molecular formula of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate?
The molecular formula of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate is C12H9Cl2NO3.
What is the molecular weight of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate?
The molecular weight of 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate is 285.00 g/mol.
Where can I buy 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate?
You can request a quote for 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoethyl 3-(2,4-dichlorophenoxy)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.