T3SS inhibitor
TL;DR: T3SS inhibitor (CAS 68639-26-9) is a chemical compound with molecular formula C13H9Br2N3O2 and molecular weight 396.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
Also Known As: T3SS inhibitor, (E)-N'-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide, N'-(3,5-dibromo-2-hydroxy-benzylidene)-nicotinic acid hydrazide, N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide, 2- (3, 5- Dibromo- 2- hydroxyphenyl) methylene hydrazide-3- pyridinecarboxylic acid
| Molecular Formula | C13H9Br2N3O2 |
|---|---|
| Molecular Weight | 396.91 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 74.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.90616 |
| Heavy Atoms | 20 |
| Complexity | 660.1659 |
Chemical Identifiers
| CAS Number | 68639-26-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)O |
Product Overview
T3SS inhibitor (CAS 68639-26-9), with molecular formula C13H9Br2N3O2 and molecular weight 396.91 g/mol. IUPAC: N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
Chemical Property Profile of T3SS inhibitor
Property Insights of T3SS inhibitor
The XLogP value of 3.0761 indicates that T3SS inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.58 Ų falls within the moderate polarity range, balancing permeability and solubility for T3SS inhibitor. Following Lipinski's Rule of Five, T3SS inhibitor has 2 hydrogen bond donor(s) and 4 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 T3SS inhibitor?
The CAS number of T3SS inhibitor is 68639-26-9.
What is the molecular formula of T3SS inhibitor?
The molecular formula of T3SS inhibitor is C13H9Br2N3O2.
What is the molecular weight of T3SS inhibitor?
The molecular weight of T3SS inhibitor is 396.91 g/mol.
Where can I buy T3SS inhibitor?
You can request a quote for T3SS inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T3SS inhibitor?
Yes, KEHONG BIO provides custom synthesis services for T3SS inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.