AB00742085-01
TL;DR: AB00742085-01 (CAS 572884-25-4) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00742085-01, N-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triaz ol-3-ylthio)]acetamide
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.0779 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 1006.9134 |
Chemical Identifiers
| CAS Number | 572884-25-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl |
Product Overview
AB00742085-01 (CAS 572884-25-4), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00742085-01
Property Insights of AB00742085-01
The XLogP value of 4.0779 indicates that AB00742085-01 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 AB00742085-01. Following Lipinski's Rule of Five, AB00742085-01 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 AB00742085-01?
The CAS number of AB00742085-01 is 572884-25-4.
What is the molecular formula of AB00742085-01?
The molecular formula of AB00742085-01 is C19H17ClN4O3S.
What is the molecular weight of AB00742085-01?
The molecular weight of AB00742085-01 is 416.07 g/mol.
Where can I buy AB00742085-01?
You can request a quote for AB00742085-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00742085-01?
Yes, KEHONG BIO provides custom synthesis services for AB00742085-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.