Bionet1_000879
TL;DR: Bionet1_000879 (CAS 338409-50-0) is a chemical compound with molecular formula C13H11ClF3N5O3 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-cyanoprop-2-enoyl]carbamate
Also Known As: Bionet1_000879, ethyl N-(3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}-2-cyanoacryloyl)carbamate, ethyl N-[3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]-2-cyanoprop-2-enoyl]carbamate
| Molecular Formula | C13H11ClF3N5O3 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 2.35048 |
| Topological Polar Surface Area | 116.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05026 |
| Heavy Atoms | 25 |
| Complexity | 730.6003 |
Chemical Identifiers
| CAS Number | 338409-50-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNNC1=C(C=C(C=N1)C(F)(F)F)Cl)C#N |
Product Overview
Bionet1_000879 (CAS 338409-50-0), with molecular formula C13H11ClF3N5O3 and molecular weight 377.05 g/mol. IUPAC: ethyl N-[3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-2-cyanoprop-2-enoyl]carbamate.
Chemical Property Profile of Bionet1_000879
Property Insights of Bionet1_000879
The XLogP value of 2.35048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000879. The TPSA of 116.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000879. Following Lipinski's Rule of Five, Bionet1_000879 has 3 hydrogen bond donor(s) and 7 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_000879?
The CAS number of Bionet1_000879 is 338409-50-0.
What is the molecular formula of Bionet1_000879?
The molecular formula of Bionet1_000879 is C13H11ClF3N5O3.
What is the molecular weight of Bionet1_000879?
The molecular weight of Bionet1_000879 is 377.05 g/mol.
Where can I buy Bionet1_000879?
You can request a quote for Bionet1_000879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000879?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.