Bionet1_003903
TL;DR: Bionet1_003903 (CAS 478045-94-2) is a chemical compound with molecular formula C16H16Cl2F3NO3 and molecular weight 397.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxo-5-(2,2,2-trifluoroethylamino)pent-4-enoate
Also Known As: Bionet1_003903, ethyl (E)-2-(2,4-dichlorobenzyl)-3-oxo-5-[(2,2,2-trifluoroethyl)amino]-4-pentenoate, ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxo-5-(2,2,2-trifluoroethylamino)pent-4-enoate
| Molecular Formula | C16H16Cl2F3NO3 |
|---|---|
| Molecular Weight | 397.05 g/mol |
| LogP | 3.9499 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.04593 |
| Heavy Atoms | 25 |
| Complexity | 648.0024 |
Chemical Identifiers
| CAS Number | 478045-94-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C=CNCC(F)(F)F |
Product Overview
Bionet1_003903 (CAS 478045-94-2), with molecular formula C16H16Cl2F3NO3 and molecular weight 397.05 g/mol. IUPAC: ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxo-5-(2,2,2-trifluoroethylamino)pent-4-enoate.
Chemical Property Profile of Bionet1_003903
Property Insights of Bionet1_003903
The XLogP value of 3.9499 indicates that Bionet1_003903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Bionet1_003903 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003903 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 Bionet1_003903?
The CAS number of Bionet1_003903 is 478045-94-2.
What is the molecular formula of Bionet1_003903?
The molecular formula of Bionet1_003903 is C16H16Cl2F3NO3.
What is the molecular weight of Bionet1_003903?
The molecular weight of Bionet1_003903 is 397.05 g/mol.
Where can I buy Bionet1_003903?
You can request a quote for Bionet1_003903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003903?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.