ChemDiv1_014505
TL;DR: ChemDiv1_014505 (CAS 450339-12-5) is a chemical compound with molecular formula C21H19Cl2N3O4S and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenoxy)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
Also Known As: ChemDiv1_014505, F0541-0965, 2-(2,4-dichlorophenoxy)-N-(2-(2,3-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide, 2-(2,4-dichlorophenoxy)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide, 2-(2,4-dichlorophenoxy)-N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]acetamide
| Molecular Formula | C21H19Cl2N3O4S |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 4.24184 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.04733 |
| Heavy Atoms | 31 |
| Complexity | 1302.194 |
Chemical Identifiers
| CAS Number | 450339-12-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)COC4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
ChemDiv1_014505 (CAS 450339-12-5), with molecular formula C21H19Cl2N3O4S and molecular weight 479.05 g/mol. IUPAC: 2-(2,4-dichlorophenoxy)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
Chemical Property Profile of ChemDiv1_014505
Property Insights of ChemDiv1_014505
The XLogP value of 4.24184 indicates that ChemDiv1_014505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014505. Following Lipinski's Rule of Five, ChemDiv1_014505 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_014505?
The CAS number of ChemDiv1_014505 is 450339-12-5.
What is the molecular formula of ChemDiv1_014505?
The molecular formula of ChemDiv1_014505 is C21H19Cl2N3O4S.
What is the molecular weight of ChemDiv1_014505?
The molecular weight of ChemDiv1_014505 is 479.05 g/mol.
Where can I buy ChemDiv1_014505?
You can request a quote for ChemDiv1_014505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014505?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.