RefChem:239776
TL;DR: RefChem:239776 (CAS 133405-39-7) is a chemical compound with molecular formula C37H35N5O2S and molecular weight 613.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-acetyl-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-5-yl]phenyl]-5-methyl-2-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
Also Known As: 1H-Pyrazole, 1-acetyl-5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(2-(5-methyl-4-oxo-2-(2-phenyl-1H-indol-3-yl-)-3-thiazolidinyl)phenyl)-, 3-(2-{1-Acetyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl)-5-methyl-2-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one, 3-[2-[2-acetyl-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-methyl-2-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one, RefChem:239776
| Molecular Formula | C37H35N5O2S |
|---|---|
| Molecular Weight | 613.25 g/mol |
| LogP | 7.7656 |
| Topological Polar Surface Area | 72.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 613.25116 |
| Heavy Atoms | 45 |
| Complexity | 1931.8906 |
Chemical Identifiers
| CAS Number | 133405-39-7 |
|---|---|
| SMILES | CC1C(=O)N(C(S1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5C6=NN(C(C6)C7=CC=C(C=C7)N(C)C)C(=O)C |
Product Overview
RefChem:239776 (CAS 133405-39-7), with molecular formula C37H35N5O2S and molecular weight 613.25 g/mol. IUPAC: 3-[2-[2-acetyl-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-5-yl]phenyl]-5-methyl-2-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:239776
Property Insights of RefChem:239776
The XLogP value of 7.7656 indicates that RefChem:239776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239776. Following Lipinski's Rule of Five, RefChem:239776 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 RefChem:239776?
The CAS number of RefChem:239776 is 133405-39-7.
What is the molecular formula of RefChem:239776?
The molecular formula of RefChem:239776 is C37H35N5O2S.
What is the molecular weight of RefChem:239776?
The molecular weight of RefChem:239776 is 613.25 g/mol.
Where can I buy RefChem:239776?
You can request a quote for RefChem:239776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.