ChemDiv3_004410
TL;DR: ChemDiv3_004410 (CAS 525581-22-0) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]ethylideneamino]benzoate
Also Known As: ChemDiv3_004410, IDI1_022320, BRD-K71693784-001-01-1, (E)-ethyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl)ethylidene)amino)benzoate, ethyl 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propylpyrazol-4-ylidene]ethylamino]benzoate
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 5.0452 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 1312.8369 |
Chemical Identifiers
| CAS Number | 525581-22-0 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=CC=C(C=C4)C(=O)OCC)C |
Product Overview
ChemDiv3_004410 (CAS 525581-22-0), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: ethyl 4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-propyl-1H-pyrazol-4-yl]ethylideneamino]benzoate.
Chemical Property Profile of ChemDiv3_004410
Property Insights of ChemDiv3_004410
The XLogP value of 5.0452 indicates that ChemDiv3_004410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004410. Following Lipinski's Rule of Five, ChemDiv3_004410 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004410?
The CAS number of ChemDiv3_004410 is 525581-22-0.
What is the molecular formula of ChemDiv3_004410?
The molecular formula of ChemDiv3_004410 is C24H24N4O3S.
What is the molecular weight of ChemDiv3_004410?
The molecular weight of ChemDiv3_004410 is 448.16 g/mol.
Where can I buy ChemDiv3_004410?
You can request a quote for ChemDiv3_004410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004410?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.