AB01305716-01
TL;DR: AB01305716-01 (CAS 842957-53-3) is a chemical compound with molecular formula C22H18N4OS and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: AB01305716-01, AB01305716-03, 3-(3-ethoxyphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-(3-ethoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-ethoxy-1-(6-(2-naphthyl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-3-yl))benz ene
| Molecular Formula | C22H18N4OS |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 4.8551 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.12012 |
| Heavy Atoms | 28 |
| Complexity | 1198.0988 |
Chemical Identifiers
| CAS Number | 842957-53-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC5=CC=CC=C5C=C4 |
Product Overview
AB01305716-01 (CAS 842957-53-3), with molecular formula C22H18N4OS and molecular weight 386.12 g/mol. IUPAC: 3-(3-ethoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of AB01305716-01
Property Insights of AB01305716-01
The XLogP value of 4.8551 indicates that AB01305716-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, AB01305716-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01305716-01 has 0 hydrogen bond donor(s) and 5 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 AB01305716-01?
The CAS number of AB01305716-01 is 842957-53-3.
What is the molecular formula of AB01305716-01?
The molecular formula of AB01305716-01 is C22H18N4OS.
What is the molecular weight of AB01305716-01?
The molecular weight of AB01305716-01 is 386.12 g/mol.
Where can I buy AB01305716-01?
You can request a quote for AB01305716-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305716-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305716-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.