RefChem:449559
TL;DR: RefChem:449559 (CAS 477313-61-4) is a chemical compound with molecular formula C29H31ClN4O2S and molecular weight 534.19 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-(2-chloro-4,6-dimethylphenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-((5-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-((5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-{[5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDE
| Molecular Formula | C29H31ClN4O2S |
|---|---|
| Molecular Weight | 534.19 g/mol |
| LogP | 7.24144 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.1856 |
| Heavy Atoms | 37 |
| Complexity | 1384.5901 |
Chemical Identifiers
| CAS Number | 477313-61-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
RefChem:449559 (CAS 477313-61-4), with molecular formula C29H31ClN4O2S and molecular weight 534.19 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:449559
Property Insights of RefChem:449559
The XLogP value of 7.24144 indicates that RefChem:449559 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:449559. Following Lipinski's Rule of Five, RefChem:449559 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:449559?
The CAS number of RefChem:449559 is 477313-61-4.
What is the molecular formula of RefChem:449559?
The molecular formula of RefChem:449559 is C29H31ClN4O2S.
What is the molecular weight of RefChem:449559?
The molecular weight of RefChem:449559 is 534.19 g/mol.
Where can I buy RefChem:449559?
You can request a quote for RefChem:449559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.