ChemDiv2_006908
TL;DR: ChemDiv2_006908 (CAS 847402-03-3) is a chemical compound with molecular formula C24H18FN5O2S2 and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv2_006908, IDI1_005623, F0665-0152, N-(2-fluorophenyl)-2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-fluorophenyl)-2-({5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C24H18FN5O2S2 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 4.5619 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.0886 |
| Heavy Atoms | 34 |
| Complexity | 1527.4662 |
Chemical Identifiers
| CAS Number | 847402-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3F)CN4C5=CC=CC=C5SC4=O |
Product Overview
ChemDiv2_006908 (CAS 847402-03-3), with molecular formula C24H18FN5O2S2 and molecular weight 491.09 g/mol. IUPAC: N-(2-fluorophenyl)-2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv2_006908
Property Insights of ChemDiv2_006908
The XLogP value of 4.5619 indicates that ChemDiv2_006908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006908. Following Lipinski's Rule of Five, ChemDiv2_006908 has 1 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 ChemDiv2_006908?
The CAS number of ChemDiv2_006908 is 847402-03-3.
What is the molecular formula of ChemDiv2_006908?
The molecular formula of ChemDiv2_006908 is C24H18FN5O2S2.
What is the molecular weight of ChemDiv2_006908?
The molecular weight of ChemDiv2_006908 is 491.09 g/mol.
Where can I buy ChemDiv2_006908?
You can request a quote for ChemDiv2_006908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006908?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.