RefChem:105816
TL;DR: RefChem:105816 (CAS 64346-43-6) is a chemical compound with molecular formula C28H23N3O5S2 and molecular weight 545.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;N-methylmethanamine
Also Known As: 7-Benzothiazolesulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl]-6-methyl-, compd. with N-methylmethanamine (1:1), 2-[2-(1,3-dioxo-2,3-dihydro-1h-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid- n-methylmethanamine(1:1), 7-Benzothiazolesulfonic acid, 2-(2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl)-6-methyl-, compd. with N-methylmethanamine (1:1), 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzothiazole-7-sulphonic acid, compound with dimethylamine (1:1), 2-[2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid--N-methylmethanamine (1/1)
| Molecular Formula | C28H23N3O5S2 |
|---|---|
| Molecular Weight | 545.11 g/mol |
| LogP | 5.07 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.1079 |
| Heavy Atoms | 38 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 64346-43-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=CC=CC=C6C5=O)S(=O)(=O)O.CNC |
| InChIKey | FCYNSACPZDQZTR-UHFFFAOYSA-N |
Product Overview
RefChem:105816 (CAS 64346-43-6), with molecular formula C28H23N3O5S2 and molecular weight 545.11 g/mol. IUPAC: 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;N-methylmethanamine.
Chemical Property Profile of RefChem:105816
Property Insights of RefChem:105816
The XLogP value of 5.07 indicates that RefChem:105816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:105816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105816 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:105816?
The CAS number of RefChem:105816 is 64346-43-6.
What is the molecular formula of RefChem:105816?
The molecular formula of RefChem:105816 is C28H23N3O5S2.
What is the molecular weight of RefChem:105816?
The molecular weight of RefChem:105816 is 545.11 g/mol.
Where can I buy RefChem:105816?
You can request a quote for RefChem:105816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.