ChemDiv1_004707
TL;DR: ChemDiv1_004707 (CAS 361479-05-2) is a chemical compound with molecular formula C23H26BrN3O3 and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_004707, US9533969, TDRL-518, 4-[3-(4-bromophenyl)-5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0714-0022, 4-(3-(4-bromophenyl)-5-(4-(diethylamino)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C23H26BrN3O3 |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.8378 |
| Topological Polar Surface Area | 73.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.11575 |
| Heavy Atoms | 30 |
| Complexity | 921.7144 |
Chemical Identifiers
| CAS Number | 361479-05-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_004707 (CAS 361479-05-2), with molecular formula C23H26BrN3O3 and molecular weight 471.12 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-[4-(diethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_004707
Property Insights of ChemDiv1_004707
The XLogP value of 4.8378 indicates that ChemDiv1_004707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004707. Following Lipinski's Rule of Five, ChemDiv1_004707 has 1 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_004707?
The CAS number of ChemDiv1_004707 is 361479-05-2.
What is the molecular formula of ChemDiv1_004707?
The molecular formula of ChemDiv1_004707 is C23H26BrN3O3.
What is the molecular weight of ChemDiv1_004707?
The molecular weight of ChemDiv1_004707 is 471.12 g/mol.
Where can I buy ChemDiv1_004707?
You can request a quote for ChemDiv1_004707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004707?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.