ChemDiv1_008682
TL;DR: ChemDiv1_008682 (CAS 378757-83-6) is a chemical compound with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: ChemDiv1_008682, 5-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid, 5-[3'-(4-methylphenyl)-1'-phenyl-5-(2-thienyl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-5-oxopentanoic acid, 5-[3'-(4-METHYLPHENYL)-1'-PHENYL-5-(THIOPHEN-2-YL)-3,4-DIHYDRO-1'H,2H-[3,4'-BIPYRAZOL]-2-YL]-5-OXOPENTANOIC ACID, 5-[3'-(4-methylphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-5-oxopentanoic acid
| Molecular Formula | C28H26N4O3S |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 5.84182 |
| Topological Polar Surface Area | 87.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.17258 |
| Heavy Atoms | 36 |
| Complexity | 1392.5946 |
Chemical Identifiers
| CAS Number | 378757-83-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_008682 (CAS 378757-83-6), with molecular formula C28H26N4O3S and molecular weight 498.17 g/mol. IUPAC: 5-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of ChemDiv1_008682
Property Insights of ChemDiv1_008682
The XLogP value of 5.84182 indicates that ChemDiv1_008682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008682. Following Lipinski's Rule of Five, ChemDiv1_008682 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008682?
The CAS number of ChemDiv1_008682 is 378757-83-6.
What is the molecular formula of ChemDiv1_008682?
The molecular formula of ChemDiv1_008682 is C28H26N4O3S.
What is the molecular weight of ChemDiv1_008682?
The molecular weight of ChemDiv1_008682 is 498.17 g/mol.
Where can I buy ChemDiv1_008682?
You can request a quote for ChemDiv1_008682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008682?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.