Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate
TL;DR: Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate (CAS 97501-15-0) is a chemical compound with molecular formula C8H15FN2O2 and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate
Also Known As: ethyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
| Molecular Formula | C8H15FN2O2 |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.11176 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 97501-15-0 |
|---|---|
| SMILES | CCOC(=O)C(CF)(C=CCN)N |
| InChIKey | RQVGWIPBGFYUQU-UHFFFAOYSA-N |
Product Overview
Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate (CAS 97501-15-0), with molecular formula C8H15FN2O2 and molecular weight 190.11 g/mol. IUPAC: ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate.
Chemical Property Profile of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate
Property Insights of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate
The XLogP value of -0.7 indicates that Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate. Following Lipinski's Rule of Five, Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate has 2 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 2,5-diamino-2-(fluoromethyl)pent-3-enoate?
The CAS number of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate is 97501-15-0.
What is the molecular formula of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate?
The molecular formula of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate is C8H15FN2O2.
What is the molecular weight of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate?
The molecular weight of Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate is 190.11 g/mol.
Where can I buy Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate?
You can request a quote for Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.