ChemDiv3_002737
TL;DR: ChemDiv3_002737 (CAS 315693-01-7) is a chemical compound with molecular formula C21H17FN4O2S2 and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorobenzoyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one
Also Known As: ChemDiv3_002737, SDCCGSBI-0660507.P001, F0825-0417, 3-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-1-(4-fluorobenzoyl)azepan-2-one, BRD-A90741937-001-01-3
| Molecular Formula | C21H17FN4O2S2 |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 4.3967 |
| Topological Polar Surface Area | 67.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0777 |
| Heavy Atoms | 30 |
| Complexity | 1251.1086 |
Chemical Identifiers
| CAS Number | 315693-01-7 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)SC2=NN=C3N2C4=CC=CC=C4S3)C(=O)C5=CC=C(C=C5)F |
Product Overview
ChemDiv3_002737 (CAS 315693-01-7), with molecular formula C21H17FN4O2S2 and molecular weight 440.08 g/mol. IUPAC: 1-(4-fluorobenzoyl)-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)azepan-2-one.
Chemical Property Profile of ChemDiv3_002737
Property Insights of ChemDiv3_002737
The XLogP value of 4.3967 indicates that ChemDiv3_002737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002737. Following Lipinski's Rule of Five, ChemDiv3_002737 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_002737?
The CAS number of ChemDiv3_002737 is 315693-01-7.
What is the molecular formula of ChemDiv3_002737?
The molecular formula of ChemDiv3_002737 is C21H17FN4O2S2.
What is the molecular weight of ChemDiv3_002737?
The molecular weight of ChemDiv3_002737 is 440.08 g/mol.
Where can I buy ChemDiv3_002737?
You can request a quote for ChemDiv3_002737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002737?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.