ChemDiv1_014463
TL;DR: ChemDiv1_014463 (CAS 450339-69-2) is a chemical compound with molecular formula C20H17BrClN3O3S and molecular weight 492.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014463, F0541-1129, 5-bromo-2-chloro-N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 5-bromo-2-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 5-bromo-2-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C20H17BrClN3O3S |
|---|---|
| Molecular Weight | 492.99 g/mol |
| LogP | 4.58574 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.98624 |
| Heavy Atoms | 29 |
| Complexity | 1268.2161 |
Chemical Identifiers
| CAS Number | 450339-69-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C=CC(=C4)Br)Cl)C |
Product Overview
ChemDiv1_014463 (CAS 450339-69-2), with molecular formula C20H17BrClN3O3S and molecular weight 492.99 g/mol. IUPAC: 5-bromo-2-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014463
Property Insights of ChemDiv1_014463
The XLogP value of 4.58574 indicates that ChemDiv1_014463 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 ChemDiv1_014463. Following Lipinski's Rule of Five, ChemDiv1_014463 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 ChemDiv1_014463?
The CAS number of ChemDiv1_014463 is 450339-69-2.
What is the molecular formula of ChemDiv1_014463?
The molecular formula of ChemDiv1_014463 is C20H17BrClN3O3S.
What is the molecular weight of ChemDiv1_014463?
The molecular weight of ChemDiv1_014463 is 492.99 g/mol.
Where can I buy ChemDiv1_014463?
You can request a quote for ChemDiv1_014463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014463?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.