TH312
TL;DR: TH312 (CAS 450339-94-3) is a chemical compound with molecular formula C25H26ClN3O3S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Also Known As: TH312, F0541-1168, 1-(4-chlorophenyl)-N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide, 1-(4-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, 1-(4-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
| Molecular Formula | C25H26ClN3O3S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 5.02144 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.13834 |
| Heavy Atoms | 33 |
| Complexity | 1354.2792 |
Chemical Identifiers
| CAS Number | 450339-94-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl)C |
Product Overview
TH312 (CAS 450339-94-3), with molecular formula C25H26ClN3O3S and molecular weight 483.14 g/mol. IUPAC: 1-(4-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide.
Chemical Property Profile of TH312
Property Insights of TH312
The XLogP value of 5.02144 indicates that TH312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for TH312. Following Lipinski's Rule of Five, TH312 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TH312?
The CAS number of TH312 is 450339-94-3.
What is the molecular formula of TH312?
The molecular formula of TH312 is C25H26ClN3O3S.
What is the molecular weight of TH312?
The molecular weight of TH312 is 483.14 g/mol.
Where can I buy TH312?
You can request a quote for TH312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH312?
Yes, KEHONG BIO provides custom synthesis services for TH312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.