ChemDiv3_014148
TL;DR: ChemDiv3_014148 (CAS 1005281-94-6) is a chemical compound with molecular formula C18H14F6N2O and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-methyl-2'-phenyl-5,5-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept-2-ene-6,4'-pyrazole]-3'-one
Also Known As: ChemDiv3_014148, IDI1_029946, 5'-methyl-2'-phenyl-3,3-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept-5-ene-2,4'-pyrazole]-3'-one, (1S,2S,4R)-3'-methyl-1'-phenyl-3,3-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept[5]ene-2,4'-pyrazol]-5'(1'H)-one, 5'-methyl-2'-phenyl-3,3-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept-5-ene-2,4'-pyrazol]-3'(2'H)-one
| Molecular Formula | C18H14F6N2O |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.10104 |
| Heavy Atoms | 27 |
| Complexity | 842.8431 |
Chemical Identifiers
| CAS Number | 1005281-94-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C12C3CC(C2(C(F)(F)F)C(F)(F)F)C=C3)C4=CC=CC=C4 |
Product Overview
ChemDiv3_014148 (CAS 1005281-94-6), with molecular formula C18H14F6N2O and molecular weight 388.10 g/mol. IUPAC: 5'-methyl-2'-phenyl-5,5-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept-2-ene-6,4'-pyrazole]-3'-one.
Chemical Property Profile of ChemDiv3_014148
Property Insights of ChemDiv3_014148
The XLogP value of 4.7124 indicates that ChemDiv3_014148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv3_014148 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_014148 has 0 hydrogen bond donor(s) and 2 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 ChemDiv3_014148?
The CAS number of ChemDiv3_014148 is 1005281-94-6.
What is the molecular formula of ChemDiv3_014148?
The molecular formula of ChemDiv3_014148 is C18H14F6N2O.
What is the molecular weight of ChemDiv3_014148?
The molecular weight of ChemDiv3_014148 is 388.10 g/mol.
Where can I buy ChemDiv3_014148?
You can request a quote for ChemDiv3_014148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.