TimTec1_002966
TL;DR: TimTec1_002966 (CAS 314761-30-3) is a chemical compound with molecular formula C15H13N5OS and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
Also Known As: TimTec1_002966, 4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide, {[1-(aminothioxomethyl)-3-methyl-5-oxo(2-pyrazolin-4-yl)]phenylmethyl}methane- 1,1-dicarbonitrile
| Molecular Formula | C15H13N5OS |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 1.51146 |
| Topological Polar Surface Area | 106.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.08408 |
| Heavy Atoms | 22 |
| Complexity | 701.6886 |
Chemical Identifiers
| CAS Number | 314761-30-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)C(=S)N |
Product Overview
TimTec1_002966 (CAS 314761-30-3), with molecular formula C15H13N5OS and molecular weight 311.08 g/mol. IUPAC: 4-(2,2-dicyano-1-phenylethyl)-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide.
Chemical Property Profile of TimTec1_002966
Property Insights of TimTec1_002966
The XLogP value of 1.51146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_002966. The TPSA of 106.27 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002966. Following Lipinski's Rule of Five, TimTec1_002966 has 1 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_002966?
The CAS number of TimTec1_002966 is 314761-30-3.
What is the molecular formula of TimTec1_002966?
The molecular formula of TimTec1_002966 is C15H13N5OS.
What is the molecular weight of TimTec1_002966?
The molecular weight of TimTec1_002966 is 311.08 g/mol.
Where can I buy TimTec1_002966?
You can request a quote for TimTec1_002966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002966?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.