Bionet2_000713
TL;DR: Bionet2_000713 (CAS 338953-53-0) is a chemical compound with molecular formula C18H14Cl2F3N3O and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetonitrile
Also Known As: Bionet2_000713, 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-morpholinoacetonitrile, 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ylacetonitrile, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-chlorophenyl)-2-(morpholin-4-yl)acetonitrile
| Molecular Formula | C18H14Cl2F3N3O |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 4.50658 |
| Topological Polar Surface Area | 49.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.0466 |
| Heavy Atoms | 27 |
| Complexity | 861.63605 |
Chemical Identifiers
| CAS Number | 338953-53-0 |
|---|---|
| SMILES | C1COCCN1C(C#N)(C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
Bionet2_000713 (CAS 338953-53-0), with molecular formula C18H14Cl2F3N3O and molecular weight 415.05 g/mol. IUPAC: 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetonitrile.
Chemical Property Profile of Bionet2_000713
Property Insights of Bionet2_000713
The XLogP value of 4.50658 indicates that Bionet2_000713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.15 Ų, Bionet2_000713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet2_000713 has 0 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 Bionet2_000713?
The CAS number of Bionet2_000713 is 338953-53-0.
What is the molecular formula of Bionet2_000713?
The molecular formula of Bionet2_000713 is C18H14Cl2F3N3O.
What is the molecular weight of Bionet2_000713?
The molecular weight of Bionet2_000713 is 415.05 g/mol.
Where can I buy Bionet2_000713?
You can request a quote for Bionet2_000713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet2_000713?
Yes, KEHONG BIO provides custom synthesis services for Bionet2_000713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.