HBT1
TL;DR: HBT1 (CAS 489408-02-8) is a chemical compound with molecular formula C16H17F3N4O2S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H17F3N4O2S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.88822 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.10242 |
| Heavy Atoms | 26 |
| Complexity | 869.7072 |
Chemical Identifiers
| CAS Number | 489408-02-8 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(F)(F)F |
Product Overview
HBT1 (CAS 489408-02-8), with molecular formula C16H17F3N4O2S and molecular weight 386.10 g/mol. IUPAC: 2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of HBT1
Property Insights of HBT1
The XLogP value of 2.88822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HBT1. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for HBT1. Following Lipinski's Rule of Five, HBT1 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 HBT1?
The CAS number of HBT1 is 489408-02-8.
What is the molecular formula of HBT1?
The molecular formula of HBT1 is C16H17F3N4O2S.
What is the molecular weight of HBT1?
The molecular weight of HBT1 is 386.10 g/mol.
Where can I buy HBT1?
You can request a quote for HBT1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HBT1?
Yes, KEHONG BIO provides custom synthesis services for HBT1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.