ChemDiv1_027501
TL;DR: ChemDiv1_027501 (CAS 350500-79-7) is a chemical compound with molecular formula C16H16F3N3O4 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_027501, [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](3-nitrophenyl)methanone, [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3-nitrophenyl)methanone, (3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl)(3-nitrophenyl)methanone
| Molecular Formula | C16H16F3N3O4 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 3.2378 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.10928 |
| Heavy Atoms | 26 |
| Complexity | 780.24866 |
Chemical Identifiers
| CAS Number | 350500-79-7 |
|---|---|
| SMILES | C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC1 |
Product Overview
ChemDiv1_027501 (CAS 350500-79-7), with molecular formula C16H16F3N3O4 and molecular weight 371.11 g/mol. IUPAC: [3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_027501
Property Insights of ChemDiv1_027501
The XLogP value of 3.2378 indicates that ChemDiv1_027501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027501. Following Lipinski's Rule of Five, ChemDiv1_027501 has 1 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 ChemDiv1_027501?
The CAS number of ChemDiv1_027501 is 350500-79-7.
What is the molecular formula of ChemDiv1_027501?
The molecular formula of ChemDiv1_027501 is C16H16F3N3O4.
What is the molecular weight of ChemDiv1_027501?
The molecular weight of ChemDiv1_027501 is 371.11 g/mol.
Where can I buy ChemDiv1_027501?
You can request a quote for ChemDiv1_027501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027501?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.