2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide (CAS 586994-15-2) is a chemical compound with molecular formula C25H20N4OS2 and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)acetamide
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide, AJ-292/42032239, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)acetamide, 2-(benzo[d]thiazol-2-ylthio)-N-(4-methyl-3-phenyl-3H-benzo[b][1,4]diazepin-2-yl)acetamide
| Molecular Formula | C25H20N4OS2 |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 6.1246 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.10785 |
| Heavy Atoms | 32 |
| Complexity | 1311.3379 |
Chemical Identifiers
| CAS Number | 586994-15-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide (CAS 586994-15-2), with molecular formula C25H20N4OS2 and molecular weight 456.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)acetamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide
The XLogP value of 6.1246 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide has 1 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide is 586994-15-2.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide is C25H20N4OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide is 456.11 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.