TimTec1_005060
TL;DR: TimTec1_005060 (CAS 312614-76-9) is a chemical compound with molecular formula C26H22N4OS and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: TimTec1_005060, (Z)-4-((3,4-diphenylthiazol-2(3H)-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, F0111-0075, 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(3,4-diphenyl(1,3-thiazolin-2-ylidene))azamethyl]-2,3-dimethyl-1-phenyl-3-p yrazolin-5-one
| Molecular Formula | C26H22N4OS |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.23602 |
| Topological Polar Surface Area | 44.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15143 |
| Heavy Atoms | 32 |
| Complexity | 1490.733 |
Chemical Identifiers
| CAS Number | 312614-76-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
TimTec1_005060 (CAS 312614-76-9), with molecular formula C26H22N4OS and molecular weight 438.15 g/mol. IUPAC: 4-[(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of TimTec1_005060
Property Insights of TimTec1_005060
The XLogP value of 5.23602 indicates that TimTec1_005060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.22 Ų, TimTec1_005060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_005060 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_005060?
The CAS number of TimTec1_005060 is 312614-76-9.
What is the molecular formula of TimTec1_005060?
The molecular formula of TimTec1_005060 is C26H22N4OS.
What is the molecular weight of TimTec1_005060?
The molecular weight of TimTec1_005060 is 438.15 g/mol.
Where can I buy TimTec1_005060?
You can request a quote for TimTec1_005060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005060?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.