Bionet1_002214
TL;DR: Bionet1_002214 (CAS 338409-96-4) is a chemical compound with molecular formula C18H8ClF3N4 and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]propanedinitrile
Also Known As: Bionet1_002214, 2-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)malononitrile, 3H-913, 2-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]propanedinitrile, 2-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}methylidene)propanedinitrile
| Molecular Formula | C18H8ClF3N4 |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 5.12826 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.03897 |
| Heavy Atoms | 26 |
| Complexity | 1098.1373 |
Chemical Identifiers
| CAS Number | 338409-96-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl)C=C(C#N)C#N |
Product Overview
Bionet1_002214 (CAS 338409-96-4), with molecular formula C18H8ClF3N4 and molecular weight 372.04 g/mol. IUPAC: 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of Bionet1_002214
Property Insights of Bionet1_002214
The XLogP value of 5.12826 indicates that Bionet1_002214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002214. Following Lipinski's Rule of Five, Bionet1_002214 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002214?
The CAS number of Bionet1_002214 is 338409-96-4.
What is the molecular formula of Bionet1_002214?
The molecular formula of Bionet1_002214 is C18H8ClF3N4.
What is the molecular weight of Bionet1_002214?
The molecular weight of Bionet1_002214 is 372.04 g/mol.
Where can I buy Bionet1_002214?
You can request a quote for Bionet1_002214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002214?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.