2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
TL;DR: 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 450347-53-2) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
Also Known As: F0545-0469, 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 5.02524 |
| Topological Polar Surface Area | 60.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 1129.7318 |
Chemical Identifiers
| CAS Number | 450347-53-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NOC(=C4)C |
Product Overview
2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 450347-53-2), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
Chemical Property Profile of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
Property Insights of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
The XLogP value of 5.02524 indicates that 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide. Following Lipinski's Rule of Five, 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide has 1 hydrogen bond donor(s) and 4 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-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide?
The CAS number of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide is 450347-53-2.
What is the molecular formula of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide?
The molecular formula of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide is C22H21N3O2S.
What is the molecular weight of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide?
The molecular weight of 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide is 391.14 g/mol.
Where can I buy 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide?
You can request a quote for 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-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-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(2-methylbenzyl)-1H-indol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.