TH133
TL;DR: TH133 (CAS 396720-18-6) is a chemical compound with molecular formula C20H18BrN3OS and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: TH133, 3-bromo-N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, F0778-0052, 3-bromo-N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 3-bromo-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C20H18BrN3OS |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 5.25074 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.0354 |
| Heavy Atoms | 26 |
| Complexity | 1012.2861 |
Chemical Identifiers
| CAS Number | 396720-18-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC(=CC=C4)Br)C |
Product Overview
TH133 (CAS 396720-18-6), with molecular formula C20H18BrN3OS and molecular weight 427.04 g/mol. IUPAC: 3-bromo-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of TH133
Property Insights of TH133
The XLogP value of 5.25074 indicates that TH133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH133 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH133 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TH133?
The CAS number of TH133 is 396720-18-6.
What is the molecular formula of TH133?
The molecular formula of TH133 is C20H18BrN3OS.
What is the molecular weight of TH133?
The molecular weight of TH133 is 427.04 g/mol.
Where can I buy TH133?
You can request a quote for TH133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH133?
Yes, KEHONG BIO provides custom synthesis services for TH133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.