ChemDiv1_004214
TL;DR: ChemDiv1_004214 (CAS 6076-67-1) is a chemical compound with molecular formula C26H24ClF3N6O2 and molecular weight 544.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004214, BAS 01841734, BIM-0012496.P001, 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C26H24ClF3N6O2 |
|---|---|
| Molecular Weight | 544.16 g/mol |
| LogP | 5.55534 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.16016 |
| Heavy Atoms | 38 |
| Complexity | 1571.6832 |
Chemical Identifiers
| CAS Number | 6076-67-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)Cl)N2)C(F)(F)F |
Product Overview
ChemDiv1_004214 (CAS 6076-67-1), with molecular formula C26H24ClF3N6O2 and molecular weight 544.16 g/mol. IUPAC: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004214
Property Insights of ChemDiv1_004214
The XLogP value of 5.55534 indicates that ChemDiv1_004214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004214. Following Lipinski's Rule of Five, ChemDiv1_004214 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004214?
The CAS number of ChemDiv1_004214 is 6076-67-1.
What is the molecular formula of ChemDiv1_004214?
The molecular formula of ChemDiv1_004214 is C26H24ClF3N6O2.
What is the molecular weight of ChemDiv1_004214?
The molecular weight of ChemDiv1_004214 is 544.16 g/mol.
Where can I buy ChemDiv1_004214?
You can request a quote for ChemDiv1_004214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004214?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.