TH112
TL;DR: TH112 (CAS 450344-60-2) is a chemical compound with molecular formula C22H23N3OS and molecular weight 377.16 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]-3,5-dimethylbenzamide
Also Known As: TH112, F0541-1676, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,5-dimethylbenzamide, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
| Molecular Formula | C22H23N3OS |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 5.10508 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1562 |
| Heavy Atoms | 27 |
| Complexity | 1031.7018 |
Chemical Identifiers
| CAS Number | 450344-60-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC(=CC(=C4)C)C)C |
Product Overview
TH112 (CAS 450344-60-2), with molecular formula C22H23N3OS and molecular weight 377.16 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide.
Chemical Property Profile of TH112
Property Insights of TH112
The XLogP value of 5.10508 indicates that TH112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, TH112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TH112 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 TH112?
The CAS number of TH112 is 450344-60-2.
What is the molecular formula of TH112?
The molecular formula of TH112 is C22H23N3OS.
What is the molecular weight of TH112?
The molecular weight of TH112 is 377.16 g/mol.
Where can I buy TH112?
You can request a quote for TH112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH112?
Yes, KEHONG BIO provides custom synthesis services for TH112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.