BAS 04023877
TL;DR: BAS 04023877 (CAS 499124-75-3) is a chemical compound with molecular formula C20H23N5OS and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04023877, N,N-diethyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N,N-diethyl-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N,N-diethyl-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]acetam ide
| Molecular Formula | C20H23N5OS |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 3.59822 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.16232 |
| Heavy Atoms | 27 |
| Complexity | 888.49536 |
Chemical Identifiers
| CAS Number | 499124-75-3 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=NC=C3 |
Product Overview
BAS 04023877 (CAS 499124-75-3), with molecular formula C20H23N5OS and molecular weight 381.16 g/mol. IUPAC: N,N-diethyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04023877
Property Insights of BAS 04023877
The XLogP value of 3.59822 indicates that BAS 04023877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04023877. Following Lipinski's Rule of Five, BAS 04023877 has 0 hydrogen bond donor(s) and 5 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 BAS 04023877?
The CAS number of BAS 04023877 is 499124-75-3.
What is the molecular formula of BAS 04023877?
The molecular formula of BAS 04023877 is C20H23N5OS.
What is the molecular weight of BAS 04023877?
The molecular weight of BAS 04023877 is 381.16 g/mol.
Where can I buy BAS 04023877?
You can request a quote for BAS 04023877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04023877?
Yes, KEHONG BIO provides custom synthesis services for BAS 04023877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.