ChemDiv1_012574
TL;DR: ChemDiv1_012574 (CAS 355805-37-7) is a chemical compound with molecular formula C16H16BrF3N4O2S and molecular weight 464.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ChemDiv1_012574, 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({2-[4-BROMO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ACETYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H16BrF3N4O2S |
|---|---|
| Molecular Weight | 464.01 g/mol |
| LogP | 3.65072 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.01294 |
| Heavy Atoms | 27 |
| Complexity | 919.8877 |
Chemical Identifiers
| CAS Number | 355805-37-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(F)(F)F)Br |
Product Overview
ChemDiv1_012574 (CAS 355805-37-7), with molecular formula C16H16BrF3N4O2S and molecular weight 464.01 g/mol. IUPAC: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_012574
Property Insights of ChemDiv1_012574
The XLogP value of 3.65072 indicates that ChemDiv1_012574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012574. Following Lipinski's Rule of Five, ChemDiv1_012574 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 ChemDiv1_012574?
The CAS number of ChemDiv1_012574 is 355805-37-7.
What is the molecular formula of ChemDiv1_012574?
The molecular formula of ChemDiv1_012574 is C16H16BrF3N4O2S.
What is the molecular weight of ChemDiv1_012574?
The molecular weight of ChemDiv1_012574 is 464.01 g/mol.
Where can I buy ChemDiv1_012574?
You can request a quote for ChemDiv1_012574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012574?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.