AB01298980-01
TL;DR: AB01298980-01 (CAS 577989-91-4) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: AB01298980-01, 6-(1,3-benzodioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 1-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz in-3-yl))-3-ethoxybenzene, 6-(2H-1,3-benzodioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(benzo[d][1,3]dioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 3.4306 |
| Topological Polar Surface Area | 70.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1047.1841 |
Chemical Identifiers
| CAS Number | 577989-91-4 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC5=C(C=C4)OCO5 |
Product Overview
AB01298980-01 (CAS 577989-91-4), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of AB01298980-01
Property Insights of AB01298980-01
The XLogP value of 3.4306 indicates that AB01298980-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01298980-01. Following Lipinski's Rule of Five, AB01298980-01 has 0 hydrogen bond donor(s) and 7 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 AB01298980-01?
The CAS number of AB01298980-01 is 577989-91-4.
What is the molecular formula of AB01298980-01?
The molecular formula of AB01298980-01 is C19H16N4O3S.
What is the molecular weight of AB01298980-01?
The molecular weight of AB01298980-01 is 380.09 g/mol.
Where can I buy AB01298980-01?
You can request a quote for AB01298980-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01298980-01?
Yes, KEHONG BIO provides custom synthesis services for AB01298980-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.