TH123
TL;DR: TH123 (CAS 396720-67-5) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 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-nitrobenzamide
Also Known As: TH123, F0778-0100, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-nitrobenzamide, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.39644 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1089.5754 |
Chemical Identifiers
| CAS Number | 396720-67-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
TH123 (CAS 396720-67-5), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-nitrobenzamide.
Chemical Property Profile of TH123
Property Insights of TH123
The XLogP value of 4.39644 indicates that TH123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for TH123. Following Lipinski's Rule of Five, TH123 has 1 hydrogen bond donor(s) and 5 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 TH123?
The CAS number of TH123 is 396720-67-5.
What is the molecular formula of TH123?
The molecular formula of TH123 is C20H18N4O3S.
What is the molecular weight of TH123?
The molecular weight of TH123 is 394.11 g/mol.
Where can I buy TH123?
You can request a quote for TH123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH123?
Yes, KEHONG BIO provides custom synthesis services for TH123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.