ChemDiv1_008680
TL;DR: ChemDiv1_008680 (CAS 402950-85-0) is a chemical compound with molecular formula C22H19FN2O3S and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Also Known As: ChemDiv1_008680, [3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl](thiophen-2-yl)methanone, (3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1h-pyrazol-1-yl)(thiophen-2-yl)methanone, [5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
| Molecular Formula | C22H19FN2O3S |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 4.8959 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.11005 |
| Heavy Atoms | 29 |
| Complexity | 1065.6792 |
Chemical Identifiers
| CAS Number | 402950-85-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)C(=O)C4=CC=CS4)OC |
Product Overview
ChemDiv1_008680 (CAS 402950-85-0), with molecular formula C22H19FN2O3S and molecular weight 410.11 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of ChemDiv1_008680
Property Insights of ChemDiv1_008680
The XLogP value of 4.8959 indicates that ChemDiv1_008680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, ChemDiv1_008680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008680 has 0 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_008680?
The CAS number of ChemDiv1_008680 is 402950-85-0.
What is the molecular formula of ChemDiv1_008680?
The molecular formula of ChemDiv1_008680 is C22H19FN2O3S.
What is the molecular weight of ChemDiv1_008680?
The molecular weight of ChemDiv1_008680 is 410.11 g/mol.
Where can I buy ChemDiv1_008680?
You can request a quote for ChemDiv1_008680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008680?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.