AB00681123-01
TL;DR: AB00681123-01 (CAS 886953-05-5) is a chemical compound with molecular formula C17H16FN3O3S2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
Also Known As: AB00681123-01, F2700-0092, N-(2,3-dimethylphenyl)-2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide, N-(2,3-dimethylphenyl)-2-[(7-fluoro-1,1-dioxo-4H-1, N-(2,3-dimethylphenyl)-2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)acetamide
| Molecular Formula | C17H16FN3O3S2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 3.28464 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.0617 |
| Heavy Atoms | 26 |
| Complexity | 1019.9083 |
Chemical Identifiers
| CAS Number | 886953-05-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NS(=O)(=O)C3=C(N2)C=CC(=C3)F)C |
Product Overview
AB00681123-01 (CAS 886953-05-5), with molecular formula C17H16FN3O3S2 and molecular weight 393.06 g/mol. IUPAC: N-(2,3-dimethylphenyl)-2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00681123-01
Property Insights of AB00681123-01
The XLogP value of 3.28464 indicates that AB00681123-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681123-01. Following Lipinski's Rule of Five, AB00681123-01 has 2 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 AB00681123-01?
The CAS number of AB00681123-01 is 886953-05-5.
What is the molecular formula of AB00681123-01?
The molecular formula of AB00681123-01 is C17H16FN3O3S2.
What is the molecular weight of AB00681123-01?
The molecular weight of AB00681123-01 is 393.06 g/mol.
Where can I buy AB00681123-01?
You can request a quote for AB00681123-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681123-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681123-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.