ChemDiv1_012564
TL;DR: ChemDiv1_012564 (CAS 299406-25-0) is a chemical compound with molecular formula C16H14BrF3N4OS and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: ChemDiv1_012564, BAS 00398039, AB00092848-01, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
| Molecular Formula | C16H14BrF3N4OS |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 4.4235 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.00238 |
| Heavy Atoms | 26 |
| Complexity | 910.20734 |
Chemical Identifiers
| CAS Number | 299406-25-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(F)(F)F)Br |
Product Overview
ChemDiv1_012564 (CAS 299406-25-0), with molecular formula C16H14BrF3N4OS and molecular weight 446.00 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_012564
Property Insights of ChemDiv1_012564
The XLogP value of 4.4235 indicates that ChemDiv1_012564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012564. Following Lipinski's Rule of Five, ChemDiv1_012564 has 1 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 ChemDiv1_012564?
The CAS number of ChemDiv1_012564 is 299406-25-0.
What is the molecular formula of ChemDiv1_012564?
The molecular formula of ChemDiv1_012564 is C16H14BrF3N4OS.
What is the molecular weight of ChemDiv1_012564?
The molecular weight of ChemDiv1_012564 is 446.00 g/mol.
Where can I buy ChemDiv1_012564?
You can request a quote for ChemDiv1_012564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012564?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.