AB00798106-01
TL;DR: AB00798106-01 (CAS 848994-80-9) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00798106-01, N-(2-ethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-ethylphenyl)-2-((5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-5-(3-methoxyphenyl)(1,2,4-triazol-3-y lthio)]acetamide
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 5.2447 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1271.2932 |
Chemical Identifiers
| CAS Number | 848994-80-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC(=CC=C4)OC |
Product Overview
AB00798106-01 (CAS 848994-80-9), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: N-(2-ethylphenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00798106-01
Property Insights of AB00798106-01
The XLogP value of 5.2447 indicates that AB00798106-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00798106-01. Following Lipinski's Rule of Five, AB00798106-01 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 AB00798106-01?
The CAS number of AB00798106-01 is 848994-80-9.
What is the molecular formula of AB00798106-01?
The molecular formula of AB00798106-01 is C26H26N4O3S.
What is the molecular weight of AB00798106-01?
The molecular weight of AB00798106-01 is 474.17 g/mol.
Where can I buy AB00798106-01?
You can request a quote for AB00798106-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00798106-01?
Yes, KEHONG BIO provides custom synthesis services for AB00798106-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.