N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
TL;DR: N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide (CAS 737781-22-5) is a chemical compound with molecular formula C21H20BrCl2N3O3S and molecular weight 542.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,5-dimethylphenyl)-2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide, N-(2-bromo-4,5-dimethylphenyl)-2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H20BrCl2N3O3S |
|---|---|
| Molecular Weight | 542.98 g/mol |
| LogP | 6.49814 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.9786 |
| Heavy Atoms | 31 |
| Complexity | 1078.0187 |
Chemical Identifiers
| CAS Number | 737781-22-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl |
Product Overview
N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide (CAS 737781-22-5), with molecular formula C21H20BrCl2N3O3S and molecular weight 542.98 g/mol. IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Property Insights of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
The XLogP value of 6.49814 indicates that N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)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 N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide?
The CAS number of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide is 737781-22-5.
What is the molecular formula of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide?
The molecular formula of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide is C21H20BrCl2N3O3S.
What is the molecular weight of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide?
The molecular weight of N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide is 542.98 g/mol.
Where can I buy N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide?
You can request a quote for N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4,5-dimethylphenyl)-2-({5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.