ChemDiv1_014672
TL;DR: ChemDiv1_014672 (CAS 450336-52-4) is a chemical compound with molecular formula C25H18N4O6S and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014672, F0541-0657, 4-benzoyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-benzoyl-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 4-benzoyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C25H18N4O6S |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 3.6922 |
| Topological Polar Surface Area | 141.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.0947 |
| Heavy Atoms | 36 |
| Complexity | 1609.7773 |
Chemical Identifiers
| CAS Number | 450336-52-4 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_014672 (CAS 450336-52-4), with molecular formula C25H18N4O6S and molecular weight 502.09 g/mol. IUPAC: 4-benzoyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014672
Property Insights of ChemDiv1_014672
The XLogP value of 3.6922 indicates that ChemDiv1_014672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.27 Ų indicates high polarity, suggesting ChemDiv1_014672 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014672 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014672?
The CAS number of ChemDiv1_014672 is 450336-52-4.
What is the molecular formula of ChemDiv1_014672?
The molecular formula of ChemDiv1_014672 is C25H18N4O6S.
What is the molecular weight of ChemDiv1_014672?
The molecular weight of ChemDiv1_014672 is 502.09 g/mol.
Where can I buy ChemDiv1_014672?
You can request a quote for ChemDiv1_014672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.