ChemDiv3_014335
TL;DR: ChemDiv3_014335 (CAS 700853-79-8) is a chemical compound with molecular formula C19H15N5OS2 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: ChemDiv3_014335, CBKinase1_005441, CBKinase1_017841, IDI1_030133, 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone
| Molecular Formula | C19H15N5OS2 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 3.9955 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0718 |
| Heavy Atoms | 27 |
| Complexity | 1150.8094 |
Chemical Identifiers
| CAS Number | 700853-79-8 |
|---|---|
| SMILES | C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv3_014335 (CAS 700853-79-8), with molecular formula C19H15N5OS2 and molecular weight 393.07 g/mol. IUPAC: 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of ChemDiv3_014335
Property Insights of ChemDiv3_014335
The XLogP value of 3.9955 indicates that ChemDiv3_014335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014335. Following Lipinski's Rule of Five, ChemDiv3_014335 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_014335?
The CAS number of ChemDiv3_014335 is 700853-79-8.
What is the molecular formula of ChemDiv3_014335?
The molecular formula of ChemDiv3_014335 is C19H15N5OS2.
What is the molecular weight of ChemDiv3_014335?
The molecular weight of ChemDiv3_014335 is 393.07 g/mol.
Where can I buy ChemDiv3_014335?
You can request a quote for ChemDiv3_014335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014335?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.