ChemDiv1_014488
TL;DR: ChemDiv1_014488 (CAS 449786-26-9) is a chemical compound with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014488, F0541-0265, 4-benzoyl-N-[2-(2-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 4-benzoyl-N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-benzoyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C26H21N3O4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.09242 |
| Topological Polar Surface Area | 98.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.12527 |
| Heavy Atoms | 34 |
| Complexity | 1522.2764 |
Chemical Identifiers
| CAS Number | 449786-26-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_014488 (CAS 449786-26-9), with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol. IUPAC: 4-benzoyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014488
Property Insights of ChemDiv1_014488
The XLogP value of 4.09242 indicates that ChemDiv1_014488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014488. Following Lipinski's Rule of Five, ChemDiv1_014488 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 ChemDiv1_014488?
The CAS number of ChemDiv1_014488 is 449786-26-9.
What is the molecular formula of ChemDiv1_014488?
The molecular formula of ChemDiv1_014488 is C26H21N3O4S.
What is the molecular weight of ChemDiv1_014488?
The molecular weight of ChemDiv1_014488 is 471.13 g/mol.
Where can I buy ChemDiv1_014488?
You can request a quote for ChemDiv1_014488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014488?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.