IDI1_021849
TL;DR: IDI1_021849 (CAS 6267-86-3) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-benzylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanenitrile
Also Known As: IDI1_021849, AB00104908-01, BRD-K64563222-001-01-5, 3-[((1E)-2-phenyl-1-azavinyl)(1,1-dioxobenzo[d]1,2-thiazolin-3-yl)amino]propan enitrile, 3-[(2E)-2-benzylidene-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl]propanenitrile
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.38528 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 944.0559 |
Chemical Identifiers
| CAS Number | 6267-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=N/N(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
IDI1_021849 (CAS 6267-86-3), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 3-[[(E)-benzylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanenitrile.
Chemical Property Profile of IDI1_021849
Property Insights of IDI1_021849
The XLogP value of 2.38528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_021849. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_021849. Following Lipinski's Rule of Five, IDI1_021849 has 0 hydrogen bond donor(s) and 5 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 IDI1_021849?
The CAS number of IDI1_021849 is 6267-86-3.
What is the molecular formula of IDI1_021849?
The molecular formula of IDI1_021849 is C17H14N4O2S.
What is the molecular weight of IDI1_021849?
The molecular weight of IDI1_021849 is 338.08 g/mol.
Where can I buy IDI1_021849?
You can request a quote for IDI1_021849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021849?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.