AB01251950-02
TL;DR: AB01251950-02 (CAS 712282-92-3) is a chemical compound with molecular formula C21H16N6O3S and molecular weight 432.10 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-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB01251950-02, N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(4-phenyl-5-pyrazin-2-yl(1,2,4-triazol- 3-ylthio))acetamide
| Molecular Formula | C21H16N6O3S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 3.1838 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.10046 |
| Heavy Atoms | 31 |
| Complexity | 1216.5344 |
Chemical Identifiers
| CAS Number | 712282-92-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=NC=CN=C5 |
Product Overview
AB01251950-02 (CAS 712282-92-3), with molecular formula C21H16N6O3S and molecular weight 432.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB01251950-02
Property Insights of AB01251950-02
The XLogP value of 3.1838 indicates that AB01251950-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01251950-02. Following Lipinski's Rule of Five, AB01251950-02 has 1 hydrogen bond donor(s) and 8 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 AB01251950-02?
The CAS number of AB01251950-02 is 712282-92-3.
What is the molecular formula of AB01251950-02?
The molecular formula of AB01251950-02 is C21H16N6O3S.
What is the molecular weight of AB01251950-02?
The molecular weight of AB01251950-02 is 432.10 g/mol.
Where can I buy AB01251950-02?
You can request a quote for AB01251950-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01251950-02?
Yes, KEHONG BIO provides custom synthesis services for AB01251950-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.