TimTec1_002749
TL;DR: TimTec1_002749 (CAS 351419-65-3) is a chemical compound with molecular formula C15H11Cl2N5OS and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: TimTec1_002749, 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide, AN-329/40688681, 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide, {[1-(aminothioxomethyl)-5-hydroxy-3-methylpyrazol-4-yl](2,3-dichlorophenyl)met hyl}methane-1,1-dicarbonitrile
| Molecular Formula | C15H11Cl2N5OS |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 2.67858 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.00613 |
| Heavy Atoms | 24 |
| Complexity | 936.23987 |
Chemical Identifiers
| CAS Number | 351419-65-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)C(C2=C(C(=CC=C2)Cl)Cl)C(C#N)C#N |
Product Overview
TimTec1_002749 (CAS 351419-65-3), with molecular formula C15H11Cl2N5OS and molecular weight 379.01 g/mol. IUPAC: 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of TimTec1_002749
Property Insights of TimTec1_002749
The XLogP value of 2.67858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_002749. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002749. Following Lipinski's Rule of Five, TimTec1_002749 has 2 hydrogen bond donor(s) and 4 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_002749?
The CAS number of TimTec1_002749 is 351419-65-3.
What is the molecular formula of TimTec1_002749?
The molecular formula of TimTec1_002749 is C15H11Cl2N5OS.
What is the molecular weight of TimTec1_002749?
The molecular weight of TimTec1_002749 is 379.01 g/mol.
Where can I buy TimTec1_002749?
You can request a quote for TimTec1_002749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002749?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.