ChemDiv1_014536
TL;DR: ChemDiv1_014536 (CAS 449791-52-0) is a chemical compound with molecular formula C22H22ClN3O5S and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide
Also Known As: ChemDiv1_014536, F0541-0557, N-(2-(4-chlorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,4-diethoxybenzamide, N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide, N-[2-(4-chlorophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide
| Molecular Formula | C22H22ClN3O5S |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 4.0038 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.09686 |
| Heavy Atoms | 32 |
| Complexity | 1269.4636 |
Chemical Identifiers
| CAS Number | 449791-52-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)Cl)OCC |
Product Overview
ChemDiv1_014536 (CAS 449791-52-0), with molecular formula C22H22ClN3O5S and molecular weight 475.10 g/mol. IUPAC: N-[2-(4-chlorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide.
Chemical Property Profile of ChemDiv1_014536
Property Insights of ChemDiv1_014536
The XLogP value of 4.0038 indicates that ChemDiv1_014536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014536. Following Lipinski's Rule of Five, ChemDiv1_014536 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_014536?
The CAS number of ChemDiv1_014536 is 449791-52-0.
What is the molecular formula of ChemDiv1_014536?
The molecular formula of ChemDiv1_014536 is C22H22ClN3O5S.
What is the molecular weight of ChemDiv1_014536?
The molecular weight of ChemDiv1_014536 is 475.10 g/mol.
Where can I buy ChemDiv1_014536?
You can request a quote for ChemDiv1_014536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.