![ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate structure](/static/products/3572/357232-91-8.webp)
ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate
TL;DR: ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate (CAS 357232-91-8) is a chemical compound with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate
Also Known As: ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate, (E)-ethyl 3-(3-bromo-4-(dimethylamino)phenyl)-2-cyanoacrylate, ethyl (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate
| Molecular Formula | C14H15BrN2O2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 2.98518 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.03168 |
| Heavy Atoms | 19 |
| Complexity | 544.8672 |
Chemical Identifiers
| CAS Number | 357232-91-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C=C1)N(C)C)Br)/C#N |
Product Overview
ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate (CAS 357232-91-8), with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol. IUPAC: ethyl (E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate
Property Insights of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate
The XLogP value of 2.98518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 53.33 Ų, ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-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 ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate?
The CAS number of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate is 357232-91-8.
What is the molecular formula of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate?
The molecular formula of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate is C14H15BrN2O2.
What is the molecular weight of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate?
The molecular weight of ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate is 322.03 g/mol.
Where can I buy ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate?
You can request a quote for ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.