AB00726950-01
TL;DR: AB00726950-01 (CAS 784174-40-9) is a chemical compound with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: AB00726950-01, 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-((4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[5-(4-chlorophenyl)-4-prop-2-enyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H19ClN4O3S |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 4.2865 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.08664 |
| Heavy Atoms | 30 |
| Complexity | 1068.6135 |
Chemical Identifiers
| CAS Number | 784174-40-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Cl |
Product Overview
AB00726950-01 (CAS 784174-40-9), with molecular formula C21H19ClN4O3S and molecular weight 442.09 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of AB00726950-01
Property Insights of AB00726950-01
The XLogP value of 4.2865 indicates that AB00726950-01 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 AB00726950-01. Following Lipinski's Rule of Five, AB00726950-01 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 AB00726950-01?
The CAS number of AB00726950-01 is 784174-40-9.
What is the molecular formula of AB00726950-01?
The molecular formula of AB00726950-01 is C21H19ClN4O3S.
What is the molecular weight of AB00726950-01?
The molecular weight of AB00726950-01 is 442.09 g/mol.
Where can I buy AB00726950-01?
You can request a quote for AB00726950-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00726950-01?
Yes, KEHONG BIO provides custom synthesis services for AB00726950-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.