TH311
TL;DR: TH311 (CAS 449786-54-3) is a chemical compound with molecular formula C24H24ClN3O3S and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Also Known As: TH311, F0541-0286, 1-(4-chlorophenyl)-N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide, 1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, 1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
| Molecular Formula | C24H24ClN3O3S |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 4.71302 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.12268 |
| Heavy Atoms | 32 |
| Complexity | 1306.7574 |
Chemical Identifiers
| CAS Number | 449786-54-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl |
Product Overview
TH311 (CAS 449786-54-3), with molecular formula C24H24ClN3O3S and molecular weight 469.12 g/mol. IUPAC: 1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide.
Chemical Property Profile of TH311
Property Insights of TH311
The XLogP value of 4.71302 indicates that TH311 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 TH311. Following Lipinski's Rule of Five, TH311 has 1 hydrogen bond donor(s) and 4 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 TH311?
The CAS number of TH311 is 449786-54-3.
What is the molecular formula of TH311?
The molecular formula of TH311 is C24H24ClN3O3S.
What is the molecular weight of TH311?
The molecular weight of TH311 is 469.12 g/mol.
Where can I buy TH311?
You can request a quote for TH311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH311?
Yes, KEHONG BIO provides custom synthesis services for TH311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.