ChemDiv1_014727
TL;DR: ChemDiv1_014727 (CAS 450339-96-5) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxochromene-3-carboxamide
Also Known As: ChemDiv1_014727, F0541-1170, N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-oxo-2H-chromene-3-carboxamide, N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-2-oxo-2H-chromene-3-carboxamide, N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxochromene-3-carboxamide
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 3.27624 |
| Topological Polar Surface Area | 111.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1581.2177 |
Chemical Identifiers
| CAS Number | 450339-96-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC5=CC=CC=C5OC4=O)C |
Product Overview
ChemDiv1_014727 (CAS 450339-96-5), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_014727
Property Insights of ChemDiv1_014727
The XLogP value of 3.27624 indicates that ChemDiv1_014727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014727. Following Lipinski's Rule of Five, ChemDiv1_014727 has 1 hydrogen bond donor(s) and 6 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_014727?
The CAS number of ChemDiv1_014727 is 450339-96-5.
What is the molecular formula of ChemDiv1_014727?
The molecular formula of ChemDiv1_014727 is C23H19N3O5S.
What is the molecular weight of ChemDiv1_014727?
The molecular weight of ChemDiv1_014727 is 449.10 g/mol.
Where can I buy ChemDiv1_014727?
You can request a quote for ChemDiv1_014727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014727?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.