TH121
TL;DR: TH121 (CAS 396719-96-3) is a chemical compound with molecular formula C20H18ClN3OS and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: TH121, F0778-0028, 4-chloro-N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-chloro-N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-chloro-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C20H18ClN3OS |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 5.14164 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0859 |
| Heavy Atoms | 26 |
| Complexity | 995.0361 |
Chemical Identifiers
| CAS Number | 396719-96-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
TH121 (CAS 396719-96-3), with molecular formula C20H18ClN3OS and molecular weight 383.09 g/mol. IUPAC: 4-chloro-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of TH121
Property Insights of TH121
The XLogP value of 5.14164 indicates that TH121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH121 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 TH121?
The CAS number of TH121 is 396719-96-3.
What is the molecular formula of TH121?
The molecular formula of TH121 is C20H18ClN3OS.
What is the molecular weight of TH121?
The molecular weight of TH121 is 383.09 g/mol.
Where can I buy TH121?
You can request a quote for TH121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH121?
Yes, KEHONG BIO provides custom synthesis services for TH121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.