ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate
TL;DR: ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate (CAS 114907-72-1) is a chemical compound with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-amino-3-chloro-2-cyanoprop-2-enoate
Also Known As: ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate, ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate, ethyl (E)-3-amino-3-chloro-2-cyanoprop-2-enoate, ethyl (2E)-3-amino-3-chloro-2-cyanoprop-2-enoate, 2-propenoic acid, 3-amino-3-chloro-2-cyano-, ethyl ester, (2E)-
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 114907-72-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\N)/Cl)/C#N |
| InChIKey | HYEWOKUKFABDCR-PLNGDYQASA-N |
Product Overview
ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate (CAS 114907-72-1), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: ethyl (E)-3-amino-3-chloro-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate
Property Insights of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate. Following Lipinski's Rule of Five, ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate has 1 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-amino-3-chloro-2-cyanoacrylate?
The CAS number of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate is 114907-72-1.
What is the molecular formula of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate?
The molecular formula of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate is C6H7ClN2O2.
What is the molecular weight of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate?
The molecular weight of ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate is 174.02 g/mol.
Where can I buy ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate?
You can request a quote for ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate 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-amino-3-chloro-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.