ChemDiv1_017850
TL;DR: ChemDiv1_017850 (CAS 5777-02-6) is a chemical compound with molecular formula C24H24N6O3S3 and molecular weight 540.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide
Also Known As: ChemDiv1_017850, A1997/0083891, 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide, 2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))-N-[2-(2-morpholin-4-yl-2-oxoethy lthio)benzothiazol-6-yl]acetamide, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide
| Molecular Formula | C24H24N6O3S3 |
|---|---|
| Molecular Weight | 540.11 g/mol |
| LogP | 3.7735 |
| Topological Polar Surface Area | 102.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.1072 |
| Heavy Atoms | 36 |
| Complexity | 1368.1993 |
Chemical Identifiers
| CAS Number | 5777-02-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_017850 (CAS 5777-02-6), with molecular formula C24H24N6O3S3 and molecular weight 540.11 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide.
Chemical Property Profile of ChemDiv1_017850
Property Insights of ChemDiv1_017850
The XLogP value of 3.7735 indicates that ChemDiv1_017850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017850. Following Lipinski's Rule of Five, ChemDiv1_017850 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017850?
The CAS number of ChemDiv1_017850 is 5777-02-6.
What is the molecular formula of ChemDiv1_017850?
The molecular formula of ChemDiv1_017850 is C24H24N6O3S3.
What is the molecular weight of ChemDiv1_017850?
The molecular weight of ChemDiv1_017850 is 540.11 g/mol.
Where can I buy ChemDiv1_017850?
You can request a quote for ChemDiv1_017850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017850?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.