ChemDiv1_012380
TL;DR: ChemDiv1_012380 (CAS 393585-66-5) is a chemical compound with molecular formula C28H28N6O3S2 and molecular weight 560.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-methyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: ChemDiv1_012380, F0514-4167, N-((4-methyl-5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide, N-[[4-methyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C28H28N6O3S2 |
|---|---|
| Molecular Weight | 560.17 g/mol |
| LogP | 4.35022 |
| Topological Polar Surface Area | 101.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 560.16644 |
| Heavy Atoms | 39 |
| Complexity | 1452.4619 |
Chemical Identifiers
| CAS Number | 393585-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C)CNC(=O)COC4=CC=CC=C4)C5=CC=CS5 |
Product Overview
ChemDiv1_012380 (CAS 393585-66-5), with molecular formula C28H28N6O3S2 and molecular weight 560.17 g/mol. IUPAC: N-[[4-methyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of ChemDiv1_012380
Property Insights of ChemDiv1_012380
The XLogP value of 4.35022 indicates that ChemDiv1_012380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012380. Following Lipinski's Rule of Five, ChemDiv1_012380 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012380?
The CAS number of ChemDiv1_012380 is 393585-66-5.
What is the molecular formula of ChemDiv1_012380?
The molecular formula of ChemDiv1_012380 is C28H28N6O3S2.
What is the molecular weight of ChemDiv1_012380?
The molecular weight of ChemDiv1_012380 is 560.17 g/mol.
Where can I buy ChemDiv1_012380?
You can request a quote for ChemDiv1_012380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012380?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.