A2394/0101350
TL;DR: A2394/0101350 (CAS 381679-58-9) is a chemical compound with molecular formula C25H23N3O3S and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
Also Known As: A2394/0101350, 1-[3-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone, 1-{3-[({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-methoxyphenyl}ethanone, 1-acetyl-3-{[5-(hydroxyphenylmethyl)-4-phenyl(1,2,4-triazol-3-ylthio)]methyl}- 4-methoxybenzene
| Molecular Formula | C25H23N3O3S |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 4.8525 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.14603 |
| Heavy Atoms | 32 |
| Complexity | 1209.8514 |
Chemical Identifiers
| CAS Number | 381679-58-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O |
Product Overview
A2394/0101350 (CAS 381679-58-9), with molecular formula C25H23N3O3S and molecular weight 445.15 g/mol. IUPAC: 1-[3-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone.
Chemical Property Profile of A2394/0101350
Property Insights of A2394/0101350
The XLogP value of 4.8525 indicates that A2394/0101350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for A2394/0101350. Following Lipinski's Rule of Five, A2394/0101350 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2394/0101350?
The CAS number of A2394/0101350 is 381679-58-9.
What is the molecular formula of A2394/0101350?
The molecular formula of A2394/0101350 is C25H23N3O3S.
What is the molecular weight of A2394/0101350?
The molecular weight of A2394/0101350 is 445.15 g/mol.
Where can I buy A2394/0101350?
You can request a quote for A2394/0101350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2394/0101350?
Yes, KEHONG BIO provides custom synthesis services for A2394/0101350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.