TimTec1_002433
TL;DR: TimTec1_002433 (CAS 296796-92-4) is a chemical compound with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone
Also Known As: TimTec1_002433, BAS 00672084, BRD-A47565418-001-01-8, A0180/0008098, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone
| Molecular Formula | C14H15N3O2S2 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 2.7051 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.06058 |
| Heavy Atoms | 21 |
| Complexity | 690.83234 |
Chemical Identifiers
| CAS Number | 296796-92-4 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=O)CSC2=NC3=CC=CC=C3S2 |
Product Overview
TimTec1_002433 (CAS 296796-92-4), with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone.
Chemical Property Profile of TimTec1_002433
Property Insights of TimTec1_002433
The XLogP value of 2.7051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_002433. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002433. Following Lipinski's Rule of Five, TimTec1_002433 has 1 hydrogen bond donor(s) and 6 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_002433?
The CAS number of TimTec1_002433 is 296796-92-4.
What is the molecular formula of TimTec1_002433?
The molecular formula of TimTec1_002433 is C14H15N3O2S2.
What is the molecular weight of TimTec1_002433?
The molecular weight of TimTec1_002433 is 321.06 g/mol.
Where can I buy TimTec1_002433?
You can request a quote for TimTec1_002433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002433?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.