Ethyl 3-amino-4,4-dicyano-3-butenoate
TL;DR: Ethyl 3-amino-4,4-dicyano-3-butenoate (CAS 86165-77-7) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4,4-dicyanobut-3-enoate
Also Known As: ethyl 3-amino-4,4-dicyanobut-3-enoate, Ethyl3-amino-4,4-dicyanobut-3-enoate, Ethyl 3-amino-4,4-dicyano-but-3-enoate, ETHYL 3-AMINO-4,4-DICYANO-3-BUTENOATE, 3-Butenoic acid, 3-amino-4,4-dicyano-, ethyl ester
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.19956 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 290.33127 |
Chemical Identifiers
| CAS Number | 86165-77-7 |
|---|---|
| SMILES | CCOC(=O)CC(=C(C#N)C#N)N |
Product Overview
Ethyl 3-amino-4,4-dicyano-3-butenoate (CAS 86165-77-7), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: ethyl 3-amino-4,4-dicyanobut-3-enoate.
Chemical Property Profile of Ethyl 3-amino-4,4-dicyano-3-butenoate
Property Insights of Ethyl 3-amino-4,4-dicyano-3-butenoate
The XLogP value of 0.19956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4,4-dicyano-3-butenoate. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4,4-dicyano-3-butenoate. Following Lipinski's Rule of Five, Ethyl 3-amino-4,4-dicyano-3-butenoate has 1 hydrogen bond donor(s) and 5 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-4,4-dicyano-3-butenoate?
The CAS number of Ethyl 3-amino-4,4-dicyano-3-butenoate is 86165-77-7.
What is the molecular formula of Ethyl 3-amino-4,4-dicyano-3-butenoate?
The molecular formula of Ethyl 3-amino-4,4-dicyano-3-butenoate is C8H9N3O2.
What is the molecular weight of Ethyl 3-amino-4,4-dicyano-3-butenoate?
The molecular weight of Ethyl 3-amino-4,4-dicyano-3-butenoate is 179.07 g/mol.
Where can I buy Ethyl 3-amino-4,4-dicyano-3-butenoate?
You can request a quote for Ethyl 3-amino-4,4-dicyano-3-butenoate 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-4,4-dicyano-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4,4-dicyano-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.