RefChem:449567
TL;DR: RefChem:449567 (CAS 477313-66-9) is a chemical compound with molecular formula C28H29ClN4O2S and molecular weight 520.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide, 2-((5-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-methylphenyl)acetamide, 2-((5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-chloro-2-methylphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-(4- chloro-2-methylphenyl)acetamide
| Molecular Formula | C28H29ClN4O2S |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 6.93302 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.17 |
| Heavy Atoms | 36 |
| Complexity | 1360.0627 |
Chemical Identifiers
| CAS Number | 477313-66-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
RefChem:449567 (CAS 477313-66-9), with molecular formula C28H29ClN4O2S and molecular weight 520.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of RefChem:449567
Property Insights of RefChem:449567
The XLogP value of 6.93302 indicates that RefChem:449567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449567. Following Lipinski's Rule of Five, RefChem:449567 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449567?
The CAS number of RefChem:449567 is 477313-66-9.
What is the molecular formula of RefChem:449567?
The molecular formula of RefChem:449567 is C28H29ClN4O2S.
What is the molecular weight of RefChem:449567?
The molecular weight of RefChem:449567 is 520.17 g/mol.
Where can I buy RefChem:449567?
You can request a quote for RefChem:449567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.