![2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide structure](/static/products/851/851814-29-4.png)
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide
TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide (CAS 851814-29-4) is a chemical compound with molecular formula C20H16BrN3O2S2 and molecular weight 472.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetamide
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide, 2-benzoxazol-2-ylthio-N-{2-bromo-5-[(4-methylphenyl)methyl](1,3-thiazol-4-yl)} acetamide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetamide, 2-benzooxazol-2-ylsulfanyl-N-[2-bromo-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetamide
| Molecular Formula | C20H16BrN3O2S2 |
|---|---|
| Molecular Weight | 472.99 g/mol |
| LogP | 5.67682 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.98672 |
| Heavy Atoms | 28 |
| Complexity | 1089.1508 |
Chemical Identifiers
| CAS Number | 851814-29-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=C(N=C(S2)Br)NC(=O)CSC3=NC4=CC=CC=C4O3 |
Product Overview
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide (CAS 851814-29-4), with molecular formula C20H16BrN3O2S2 and molecular weight 472.99 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetamide.
Chemical Property Profile of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide
Property Insights of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide
The XLogP value of 5.67682 indicates that 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-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-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide?
The CAS number of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide is 851814-29-4.
What is the molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide?
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide is C20H16BrN3O2S2.
What is the molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide?
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide is 472.99 g/mol.
Where can I buy 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide?
You can request a quote for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-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-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-bromo-5-(4-methylbenzyl)-1,3-thiazol-4-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.