4W-0314
TL;DR: 4W-0314 (CAS 866018-78-2) is a chemical compound with molecular formula C28H28F3N3O and molecular weight 479.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]benzamide
Also Known As: 4W-0314, N-[2-(1-cyclohexenyl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl]benzenecarboxamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-2H,4H,5H,6H-cyclopenta[c]pyrazol-2-yl}benzamide, N-[2-(cyclohexen-1-yl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]benzamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-4H,5H,6H-cyclopenta[c]pyrazol-2-yl}benzamide
| Molecular Formula | C28H28F3N3O |
|---|---|
| Molecular Weight | 479.22 g/mol |
| LogP | 6.6671 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.21844 |
| Heavy Atoms | 35 |
| Complexity | 1255.4421 |
Chemical Identifiers
| CAS Number | 866018-78-2 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)N3C(=C4CCCC4=N3)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
4W-0314 (CAS 866018-78-2), with molecular formula C28H28F3N3O and molecular weight 479.22 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]benzamide.
Chemical Property Profile of 4W-0314
Property Insights of 4W-0314
The XLogP value of 6.6671 indicates that 4W-0314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4W-0314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4W-0314 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4W-0314?
The CAS number of 4W-0314 is 866018-78-2.
What is the molecular formula of 4W-0314?
The molecular formula of 4W-0314 is C28H28F3N3O.
What is the molecular weight of 4W-0314?
The molecular weight of 4W-0314 is 479.22 g/mol.
Where can I buy 4W-0314?
You can request a quote for 4W-0314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4W-0314?
Yes, KEHONG BIO provides custom synthesis services for 4W-0314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.