RefChem:815720
TL;DR: RefChem:815720 (CAS 538336-46-8) is a chemical compound with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: SALOR-INT L445851-1EA, methyl 4-[({[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-(2-((4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, Methyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, 646-391-7
| Molecular Formula | C26H24N4O3S |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 5.06854 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.15692 |
| Heavy Atoms | 34 |
| Complexity | 1317.8925 |
Chemical Identifiers
| CAS Number | 538336-46-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4 |
Product Overview
RefChem:815720 (CAS 538336-46-8), with molecular formula C26H24N4O3S and molecular weight 472.16 g/mol. IUPAC: methyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:815720
Property Insights of RefChem:815720
The XLogP value of 5.06854 indicates that RefChem:815720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:815720. Following Lipinski's Rule of Five, RefChem:815720 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 RefChem:815720?
The CAS number of RefChem:815720 is 538336-46-8.
What is the molecular formula of RefChem:815720?
The molecular formula of RefChem:815720 is C26H24N4O3S.
What is the molecular weight of RefChem:815720?
The molecular weight of RefChem:815720 is 472.16 g/mol.
Where can I buy RefChem:815720?
You can request a quote for RefChem:815720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:815720?
Yes, KEHONG BIO provides custom synthesis services for RefChem:815720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.