Bionet1_003424
TL;DR: Bionet1_003424 (CAS 1164559-76-5) is a chemical compound with molecular formula C16H13ClF3N3O2 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-aminoanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
Also Known As: Bionet1_003424, methyl (Z)-3-(2-aminoanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate, methyl 3-(2-aminoanilino)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate
| Molecular Formula | C16H13ClF3N3O2 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 3.962 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.06485 |
| Heavy Atoms | 25 |
| Complexity | 822.5125 |
Chemical Identifiers
| CAS Number | 1164559-76-5 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC=CC=C1N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_003424 (CAS 1164559-76-5), with molecular formula C16H13ClF3N3O2 and molecular weight 371.06 g/mol. IUPAC: methyl 3-(2-aminoanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate.
Chemical Property Profile of Bionet1_003424
Property Insights of Bionet1_003424
The XLogP value of 3.962 indicates that Bionet1_003424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003424. Following Lipinski's Rule of Five, Bionet1_003424 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 Bionet1_003424?
The CAS number of Bionet1_003424 is 1164559-76-5.
What is the molecular formula of Bionet1_003424?
The molecular formula of Bionet1_003424 is C16H13ClF3N3O2.
What is the molecular weight of Bionet1_003424?
The molecular weight of Bionet1_003424 is 371.06 g/mol.
Where can I buy Bionet1_003424?
You can request a quote for Bionet1_003424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003424?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.