TH116
TL;DR: TH116 (CAS 396719-90-7) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylbenzamide
Also Known As: TH116, F0778-0022, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-methylbenzamide, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-4-methylbenzamide, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylbenzamide
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.79666 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 989.23596 |
Chemical Identifiers
| CAS Number | 396719-90-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=C(C=C(C=C4)C)C |
Product Overview
TH116 (CAS 396719-90-7), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylbenzamide.
Chemical Property Profile of TH116
Property Insights of TH116
The XLogP value of 4.79666 indicates that TH116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH116 has 1 hydrogen bond donor(s) and 3 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 TH116?
The CAS number of TH116 is 396719-90-7.
What is the molecular formula of TH116?
The molecular formula of TH116 is C21H21N3OS.
What is the molecular weight of TH116?
The molecular weight of TH116 is 363.14 g/mol.
Where can I buy TH116?
You can request a quote for TH116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH116?
Yes, KEHONG BIO provides custom synthesis services for TH116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.