TH118
TL;DR: TH118 (CAS 396719-77-0) 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]-2-methylbenzamide
Also Known As: TH118, F0778-0010, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-2-methylbenzamide, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-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 | 1006.48596 |
Chemical Identifiers
| CAS Number | 396719-77-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4C)C |
Product Overview
TH118 (CAS 396719-77-0), 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]-2-methylbenzamide.
Chemical Property Profile of TH118
Property Insights of TH118
The XLogP value of 4.79666 indicates that TH118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH118 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH118 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 TH118?
The CAS number of TH118 is 396719-77-0.
What is the molecular formula of TH118?
The molecular formula of TH118 is C21H21N3OS.
What is the molecular weight of TH118?
The molecular weight of TH118 is 363.14 g/mol.
Where can I buy TH118?
You can request a quote for TH118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH118?
Yes, KEHONG BIO provides custom synthesis services for TH118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.