2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester
TL;DR: 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester (CAS 799832-72-7) is a chemical compound with molecular formula C10H8F3N3O2 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-amino-2-(1,1-dicyano-3,3,3-trifluoroprop-1-en-2-yl)but-2-enoate
Also Known As: 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester, (Z)-methyl 3-amino-2-(1,1-dicyano-3,3,3-trifluoroprop-1-en-2-yl)but-2-enoate, methyl (2Z)-3-amino-2-(1,1-dicyano-3,3,3-trifluoroprop-1-en-2-yl)but-2-enoate, Methyl (2Z)-3-amino-2-[2,2-dicyano-1-(trifluoromethyl)vinyl]-2-butenoate #, methyl (Z)-3-amino-2-(1,1-dicyano-3,3,3-trifluoroprop-1-en-2-yl)but-2-enoate
| Molecular Formula | C10H8F3N3O2 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.29816 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.05685 |
| Heavy Atoms | 18 |
| Complexity | 483.9316 |
Chemical Identifiers
| CAS Number | 799832-72-7 |
|---|---|
| SMILES | C/C(=C(\C(=C(C#N)C#N)C(F)(F)F)/C(=O)OC)/N |
Product Overview
2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester (CAS 799832-72-7), with molecular formula C10H8F3N3O2 and molecular weight 259.06 g/mol. IUPAC: methyl (Z)-3-amino-2-(1,1-dicyano-3,3,3-trifluoroprop-1-en-2-yl)but-2-enoate.
Chemical Property Profile of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester
Property Insights of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester
The XLogP value of 1.29816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester. Following Lipinski's Rule of Five, 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester 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 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester?
The CAS number of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester is 799832-72-7.
What is the molecular formula of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester?
The molecular formula of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester is C10H8F3N3O2.
What is the molecular weight of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester?
The molecular weight of 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester is 259.06 g/mol.
Where can I buy 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester?
You can request a quote for 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.