Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate
TL;DR: Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate (CAS 89639-38-3) 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 3-amino-3-chloro-2-cyanoprop-2-enoate
Also Known As: ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate, 3-Amino-3-chlor-2-cyanacrylsaeure-ethylester, ethyl (2E)-3-amino-3-chloro-2-cyanoacrylate, 2-propenoic acid, 3-amino-3-chloro-2-cyano-, ethyl ester, (2E)-
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 0.48218 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 225.227 |
Chemical Identifiers
| CAS Number | 89639-38-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(N)Cl)C#N |
Product Overview
Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate (CAS 89639-38-3), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate
Property Insights of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate
The XLogP value of 0.48218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate 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 3-amino-3-chloro-2-cyanoprop-2-enoate?
The CAS number of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate is 89639-38-3.
What is the molecular formula of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate is C6H7ClN2O2.
What is the molecular weight of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate is 174.02 g/mol.
Where can I buy Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-amino-3-chloro-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 3-amino-3-chloro-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-chloro-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.