ChemDiv1_008596
TL;DR: ChemDiv1_008596 (CAS 402951-31-9) is a chemical compound with molecular formula C18H13FN2OS2 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
Also Known As: ChemDiv1_008596, F0877-0159, (5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone, [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
| Molecular Formula | C18H13FN2OS2 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 4.9402 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.04532 |
| Heavy Atoms | 24 |
| Complexity | 870.4066 |
Chemical Identifiers
| CAS Number | 402951-31-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F |
Product Overview
ChemDiv1_008596 (CAS 402951-31-9), with molecular formula C18H13FN2OS2 and molecular weight 356.05 g/mol. IUPAC: [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of ChemDiv1_008596
Property Insights of ChemDiv1_008596
The XLogP value of 4.9402 indicates that ChemDiv1_008596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv1_008596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008596 has 0 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_008596?
The CAS number of ChemDiv1_008596 is 402951-31-9.
What is the molecular formula of ChemDiv1_008596?
The molecular formula of ChemDiv1_008596 is C18H13FN2OS2.
What is the molecular weight of ChemDiv1_008596?
The molecular weight of ChemDiv1_008596 is 356.05 g/mol.
Where can I buy ChemDiv1_008596?
You can request a quote for ChemDiv1_008596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008596?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.