Bionet1_002987
TL;DR: Bionet1_002987 (CAS 338965-42-7) is a chemical compound with molecular formula C16H8ClF3N4O2 and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(4-nitrophenyl)methyl]propanedinitrile
Also Known As: Bionet1_002987, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(4-nitrophenyl)methyl]propanedinitrile, 6K-076, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrobenzyl)malononitrile
| Molecular Formula | C16H8ClF3N4O2 |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 4.18966 |
| Topological Polar Surface Area | 103.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.02878 |
| Heavy Atoms | 26 |
| Complexity | 916.48175 |
Chemical Identifiers
| CAS Number | 338965-42-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
Bionet1_002987 (CAS 338965-42-7), with molecular formula C16H8ClF3N4O2 and molecular weight 380.03 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(4-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of Bionet1_002987
Property Insights of Bionet1_002987
The XLogP value of 4.18966 indicates that Bionet1_002987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002987. Following Lipinski's Rule of Five, Bionet1_002987 has 0 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_002987?
The CAS number of Bionet1_002987 is 338965-42-7.
What is the molecular formula of Bionet1_002987?
The molecular formula of Bionet1_002987 is C16H8ClF3N4O2.
What is the molecular weight of Bionet1_002987?
The molecular weight of Bionet1_002987 is 380.03 g/mol.
Where can I buy Bionet1_002987?
You can request a quote for Bionet1_002987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002987?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.