EINECS 262-168-3
TL;DR: EINECS 262-168-3 (CAS 60317-11-5) is a chemical compound with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione;methyl sulfate
Also Known As: EINECS 262-168-3, 4-(6-Methoxy-1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)-1,2,3,5-tetramethyl-1H-pyrazolium methyl sulphate, 4-(6-Methoxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1,2,3,5-tetramethyl-1H-pyrazol-2-ium methyl sulfate, 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione; methyl sulfate
| Molecular Formula | C21H23N3O7S |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 1.52184 |
| Topological Polar Surface Area | 121.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.12567 |
| Heavy Atoms | 32 |
| Complexity | 1311.9557 |
Chemical Identifiers
| CAS Number | 60317-11-5 |
|---|---|
| SMILES | CC1=C(C(=[N+](N1C)C)C)N2C(=O)C3=C4C(=C(C=C3)OC)C=CC=C4C2=O.COS(=O)(=O)[O-] |
Product Overview
EINECS 262-168-3 (CAS 60317-11-5), with molecular formula C21H23N3O7S and molecular weight 461.13 g/mol. IUPAC: 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione;methyl sulfate.
Chemical Property Profile of EINECS 262-168-3
Property Insights of EINECS 262-168-3
The XLogP value of 1.52184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-168-3. The TPSA of 121.85 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-168-3. Following Lipinski's Rule of Five, EINECS 262-168-3 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 EINECS 262-168-3?
The CAS number of EINECS 262-168-3 is 60317-11-5.
What is the molecular formula of EINECS 262-168-3?
The molecular formula of EINECS 262-168-3 is C21H23N3O7S.
What is the molecular weight of EINECS 262-168-3?
The molecular weight of EINECS 262-168-3 is 461.13 g/mol.
Where can I buy EINECS 262-168-3?
You can request a quote for EINECS 262-168-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-168-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-168-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.