ChemDiv1_011619
TL;DR: ChemDiv1_011619 (CAS 312516-91-9) is a chemical compound with molecular formula C24H22N2O5S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methylanilino)ethyl 4-methoxybenzoate
Also Known As: ChemDiv1_011619, 2-[(1,1-dioxo-1, A1971/0082890, 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)(m-tolyl)amino)ethyl 4-methoxybenzoate, 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methylanilino)ethyl 4-methoxybenzoate
| Molecular Formula | C24H22N2O5S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 3.81612 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.12494 |
| Heavy Atoms | 32 |
| Complexity | 1283.7516 |
Chemical Identifiers
| CAS Number | 312516-91-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CCOC(=O)C2=CC=C(C=C2)OC)C3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
ChemDiv1_011619 (CAS 312516-91-9), with molecular formula C24H22N2O5S and molecular weight 450.12 g/mol. IUPAC: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methylanilino)ethyl 4-methoxybenzoate.
Chemical Property Profile of ChemDiv1_011619
Property Insights of ChemDiv1_011619
The XLogP value of 3.81612 indicates that ChemDiv1_011619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011619. Following Lipinski's Rule of Five, ChemDiv1_011619 has 0 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 ChemDiv1_011619?
The CAS number of ChemDiv1_011619 is 312516-91-9.
What is the molecular formula of ChemDiv1_011619?
The molecular formula of ChemDiv1_011619 is C24H22N2O5S.
What is the molecular weight of ChemDiv1_011619?
The molecular weight of ChemDiv1_011619 is 450.12 g/mol.
Where can I buy ChemDiv1_011619?
You can request a quote for ChemDiv1_011619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011619?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.