ChemDiv1_011786
TL;DR: ChemDiv1_011786 (CAS 299919-53-2) is a chemical compound with molecular formula C22H20N6O2S3 and molecular weight 496.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_011786, A2206/0092900, N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-((2-(indolin-1-yl)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C22H20N6O2S3 |
|---|---|
| Molecular Weight | 496.08 g/mol |
| LogP | 3.837 |
| Topological Polar Surface Area | 93.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.081 |
| Heavy Atoms | 33 |
| Complexity | 1334.6772 |
Chemical Identifiers
| CAS Number | 299919-53-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
ChemDiv1_011786 (CAS 299919-53-2), with molecular formula C22H20N6O2S3 and molecular weight 496.08 g/mol. IUPAC: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_011786
Property Insights of ChemDiv1_011786
The XLogP value of 3.837 indicates that ChemDiv1_011786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011786. Following Lipinski's Rule of Five, ChemDiv1_011786 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_011786?
The CAS number of ChemDiv1_011786 is 299919-53-2.
What is the molecular formula of ChemDiv1_011786?
The molecular formula of ChemDiv1_011786 is C22H20N6O2S3.
What is the molecular weight of ChemDiv1_011786?
The molecular weight of ChemDiv1_011786 is 496.08 g/mol.
Where can I buy ChemDiv1_011786?
You can request a quote for ChemDiv1_011786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011786?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.