TimTec1_005713
TL;DR: TimTec1_005713 (CAS 339348-95-7) is a chemical compound with molecular formula C21H22F3N5 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Also Known As: TimTec1_005713, A2740/0116418, 5-amino-3-[4-(diethylamino)phenyl]-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile, 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-3-pyrazoline-4 -carbonitrile
| Molecular Formula | C21H22F3N5 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.00908 |
| Topological Polar Surface Area | 68.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.18274 |
| Heavy Atoms | 29 |
| Complexity | 927.5292 |
Chemical Identifiers
| CAS Number | 339348-95-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2(C(=C(N(N2)C3=CC=CC=C3)N)C#N)C(F)(F)F |
Product Overview
TimTec1_005713 (CAS 339348-95-7), with molecular formula C21H22F3N5 and molecular weight 401.18 g/mol. IUPAC: 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of TimTec1_005713
Property Insights of TimTec1_005713
The XLogP value of 4.00908 indicates that TimTec1_005713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.32 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005713. Following Lipinski's Rule of Five, TimTec1_005713 has 2 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 TimTec1_005713?
The CAS number of TimTec1_005713 is 339348-95-7.
What is the molecular formula of TimTec1_005713?
The molecular formula of TimTec1_005713 is C21H22F3N5.
What is the molecular weight of TimTec1_005713?
The molecular weight of TimTec1_005713 is 401.18 g/mol.
Where can I buy TimTec1_005713?
You can request a quote for TimTec1_005713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005713?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.