F0561-0031
TL;DR: F0561-0031 (CAS 958701-91-2) is a chemical compound with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide
Also Known As: F0561-0031, N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide, N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(3,4-dimethoxyphenyl)acetamide, N-[2-(3-chlorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide
| Molecular Formula | C21H20ClN3O4S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 3.4864 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0863 |
| Heavy Atoms | 30 |
| Complexity | 1145.2753 |
Chemical Identifiers
| CAS Number | 958701-91-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl)OC |
Product Overview
F0561-0031 (CAS 958701-91-2), with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol. IUPAC: N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of F0561-0031
Property Insights of F0561-0031
The XLogP value of 3.4864 indicates that F0561-0031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0031. Following Lipinski's Rule of Five, F0561-0031 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 F0561-0031?
The CAS number of F0561-0031 is 958701-91-2.
What is the molecular formula of F0561-0031?
The molecular formula of F0561-0031 is C21H20ClN3O4S.
What is the molecular weight of F0561-0031?
The molecular weight of F0561-0031 is 445.09 g/mol.
Where can I buy F0561-0031?
You can request a quote for F0561-0031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0561-0031?
Yes, KEHONG BIO provides custom synthesis services for F0561-0031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.