ChemDiv1_008500
TL;DR: ChemDiv1_008500 (CAS 369393-14-6) is a chemical compound with molecular formula C22H23FN2O5 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: ChemDiv1_008500, BAS 02982861, AB00120278-01, 5-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid, 5-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)(2-pyrazolinyl)]-5-oxopentanoic a cid
| Molecular Formula | C22H23FN2O5 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.7755 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.1591 |
| Heavy Atoms | 30 |
| Complexity | 958.5003 |
Chemical Identifiers
| CAS Number | 369393-14-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CCCC(=O)O)OC |
Product Overview
ChemDiv1_008500 (CAS 369393-14-6), with molecular formula C22H23FN2O5 and molecular weight 414.16 g/mol. IUPAC: 5-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of ChemDiv1_008500
Property Insights of ChemDiv1_008500
The XLogP value of 3.7755 indicates that ChemDiv1_008500 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008500. Following Lipinski's Rule of Five, ChemDiv1_008500 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 ChemDiv1_008500?
The CAS number of ChemDiv1_008500 is 369393-14-6.
What is the molecular formula of ChemDiv1_008500?
The molecular formula of ChemDiv1_008500 is C22H23FN2O5.
What is the molecular weight of ChemDiv1_008500?
The molecular weight of ChemDiv1_008500 is 414.16 g/mol.
Where can I buy ChemDiv1_008500?
You can request a quote for ChemDiv1_008500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008500?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.