Bionet1_002056
TL;DR: Bionet1_002056 (CAS 338959-77-6) is a chemical compound with molecular formula C18H14F3N3O2 and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-(dimethylamino)prop-2-enoyl]phenoxy]-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: Bionet1_002056, 3-{4-[3-(dimethylamino)acryloyl]phenoxy}-5-(trifluoromethyl)-2-pyridinecarbonitrile, 3-[4-[3-(dimethylamino)prop-2-enoyl]phenoxy]-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-[4-[(E)-3-(dimethylamino)prop-2-enoyl]phenoxy]-5-(trifluoromethyl)pyridine-2-carbonitrile
| Molecular Formula | C18H14F3N3O2 |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 4.02238 |
| Topological Polar Surface Area | 66.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.10382 |
| Heavy Atoms | 26 |
| Complexity | 866.7305 |
Chemical Identifiers
| CAS Number | 338959-77-6 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC=C(C=C1)OC2=C(N=CC(=C2)C(F)(F)F)C#N |
Product Overview
Bionet1_002056 (CAS 338959-77-6), with molecular formula C18H14F3N3O2 and molecular weight 361.10 g/mol. IUPAC: 3-[4-[3-(dimethylamino)prop-2-enoyl]phenoxy]-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of Bionet1_002056
Property Insights of Bionet1_002056
The XLogP value of 4.02238 indicates that Bionet1_002056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002056. Following Lipinski's Rule of Five, Bionet1_002056 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_002056?
The CAS number of Bionet1_002056 is 338959-77-6.
What is the molecular formula of Bionet1_002056?
The molecular formula of Bionet1_002056 is C18H14F3N3O2.
What is the molecular weight of Bionet1_002056?
The molecular weight of Bionet1_002056 is 361.10 g/mol.
Where can I buy Bionet1_002056?
You can request a quote for Bionet1_002056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002056?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.