TH131
TL;DR: TH131 (CAS 396720-35-7) is a chemical compound with molecular formula C20H18FN3OS and molecular weight 367.12 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]-3-fluorobenzamide
Also Known As: TH131, F0778-0070, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-fluorobenzamide, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-3-fluorobenzamide, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluorobenzamide
| Molecular Formula | C20H18FN3OS |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 4.62734 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.11545 |
| Heavy Atoms | 26 |
| Complexity | 1012.2861 |
Chemical Identifiers
| CAS Number | 396720-35-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC(=CC=C4)F)C |
Product Overview
TH131 (CAS 396720-35-7), with molecular formula C20H18FN3OS and molecular weight 367.12 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-fluorobenzamide.
Chemical Property Profile of TH131
Property Insights of TH131
The XLogP value of 4.62734 indicates that TH131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH131 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 TH131?
The CAS number of TH131 is 396720-35-7.
What is the molecular formula of TH131?
The molecular formula of TH131 is C20H18FN3OS.
What is the molecular weight of TH131?
The molecular weight of TH131 is 367.12 g/mol.
Where can I buy TH131?
You can request a quote for TH131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH131?
Yes, KEHONG BIO provides custom synthesis services for TH131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.