N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
TL;DR: N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide (CAS 5193-48-6) is a chemical compound with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
Also Known As: N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide, BIM-0013415.P001, N~1~,N~6~-Bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide, N-benzothiazol-2-yl-N'-benzothiazol-2-yl-3-methylhexane-1,6-diamide
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 5.2896 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 1101.6406 |
Chemical Identifiers
| CAS Number | 5193-48-6 |
|---|---|
| SMILES | CC(CCC(=O)NC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide (CAS 5193-48-6), with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol. IUPAC: N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide.
Chemical Property Profile of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
Property Insights of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
The XLogP value of 5.2896 indicates that N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide. Following Lipinski's Rule of Five, N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide?
The CAS number of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide is 5193-48-6.
What is the molecular formula of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide?
The molecular formula of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide is C21H20N4O2S2.
What is the molecular weight of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide?
The molecular weight of N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide is 424.10 g/mol.
Where can I buy N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide?
You can request a quote for N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.