2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester
TL;DR: 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester (CAS 60146-13-6) is a chemical compound with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
Also Known As: 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester, Cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
| Molecular Formula | C11H7Cl2NO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 2.95268 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.9803 |
| Heavy Atoms | 17 |
| Complexity | 480.09515 |
Chemical Identifiers
| CAS Number | 60146-13-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)O/C=C/C(=O)OCC#N |
Product Overview
2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester (CAS 60146-13-6), with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol. IUPAC: cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester
Property Insights of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester
The XLogP value of 2.95268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester 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 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester?
The CAS number of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester is 60146-13-6.
What is the molecular formula of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester?
The molecular formula of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester is C11H7Cl2NO3.
What is the molecular weight of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester?
The molecular weight of 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester is 270.98 g/mol.
Where can I buy 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester?
You can request a quote for 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, cyanomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.