ChemDiv1_008320
TL;DR: ChemDiv1_008320 (CAS 376374-49-1) is a chemical compound with molecular formula C23H27F3N6O2S and molecular weight 508.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: ChemDiv1_008320, DivK1c_002960, CDS1_001920, AF-399/40772863, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C23H27F3N6O2S |
|---|---|
| Molecular Weight | 508.19 g/mol |
| LogP | 3.4033 |
| Topological Polar Surface Area | 86.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.18683 |
| Heavy Atoms | 35 |
| Complexity | 1265.5499 |
Chemical Identifiers
| CAS Number | 376374-49-1 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)CCN=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
ChemDiv1_008320 (CAS 376374-49-1), with molecular formula C23H27F3N6O2S and molecular weight 508.19 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_008320
Property Insights of ChemDiv1_008320
The XLogP value of 3.4033 indicates that ChemDiv1_008320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008320. Following Lipinski's Rule of Five, ChemDiv1_008320 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 ChemDiv1_008320?
The CAS number of ChemDiv1_008320 is 376374-49-1.
What is the molecular formula of ChemDiv1_008320?
The molecular formula of ChemDiv1_008320 is C23H27F3N6O2S.
What is the molecular weight of ChemDiv1_008320?
The molecular weight of ChemDiv1_008320 is 508.19 g/mol.
Where can I buy ChemDiv1_008320?
You can request a quote for ChemDiv1_008320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.