BAS 02254941
TL;DR: BAS 02254941 (CAS 493027-64-8) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diethylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02254941, N-(2,6-diethylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,6-diethylphenyl)-2-[(5-{4-nitrophenyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,6-diethylphenyl)-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 4.2459 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1040.7538 |
Chemical Identifiers
| CAS Number | 493027-64-8 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 02254941 (CAS 493027-64-8), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: N-(2,6-diethylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02254941
Property Insights of BAS 02254941
The XLogP value of 4.2459 indicates that BAS 02254941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02254941. Following Lipinski's Rule of Five, BAS 02254941 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 BAS 02254941?
The CAS number of BAS 02254941 is 493027-64-8.
What is the molecular formula of BAS 02254941?
The molecular formula of BAS 02254941 is C21H23N5O3S.
What is the molecular weight of BAS 02254941?
The molecular weight of BAS 02254941 is 425.15 g/mol.
Where can I buy BAS 02254941?
You can request a quote for BAS 02254941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02254941?
Yes, KEHONG BIO provides custom synthesis services for BAS 02254941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.