ChemDiv3_001622
TL;DR: ChemDiv3_001622 (CAS 397278-15-8) is a chemical compound with molecular formula C30H28N4O3 and molecular weight 492.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv3_001622, IDI1_020588, US9533969, TDRL-520, BRD-A65813382-001-01-1, 4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C30H28N4O3 |
|---|---|
| Molecular Weight | 492.22 g/mol |
| LogP | 5.69864 |
| Topological Polar Surface Area | 87.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.21616 |
| Heavy Atoms | 37 |
| Complexity | 1455.2195 |
Chemical Identifiers
| CAS Number | 397278-15-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C(=O)CCC(=O)O |
Product Overview
ChemDiv3_001622 (CAS 397278-15-8), with molecular formula C30H28N4O3 and molecular weight 492.22 g/mol. IUPAC: 4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv3_001622
Property Insights of ChemDiv3_001622
The XLogP value of 5.69864 indicates that ChemDiv3_001622 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 ChemDiv3_001622. Following Lipinski's Rule of Five, ChemDiv3_001622 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_001622?
The CAS number of ChemDiv3_001622 is 397278-15-8.
What is the molecular formula of ChemDiv3_001622?
The molecular formula of ChemDiv3_001622 is C30H28N4O3.
What is the molecular weight of ChemDiv3_001622?
The molecular weight of ChemDiv3_001622 is 492.22 g/mol.
Where can I buy ChemDiv3_001622?
You can request a quote for ChemDiv3_001622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001622?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.