RefChem:105815
TL;DR: RefChem:105815 (CAS 71832-69-4) is a chemical compound with molecular formula C32H31N3O8S2 and molecular weight 649.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: 7-Benzothiazolesulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 2-(2-(1,3-Dioxo-2-indanyl)-6-quinolyl)-6-methyl-7-benzothiazolesulfonic acid, compd. with triethanolamine (1:1), 7-Benzothiazolesulfonic acid, 2-(2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (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--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
| Molecular Formula | C32H31N3O8S2 |
|---|---|
| Molecular Weight | 649.16 g/mol |
| LogP | 3.49472 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 649.1553 |
| Heavy Atoms | 45 |
| Complexity | 999.0 |
Chemical Identifiers
| CAS Number | 71832-69-4 |
|---|---|
| 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.C(CO)N(CCO)CCO |
| InChIKey | JADMHUDNCZNLEW-UHFFFAOYSA-N |
Product Overview
RefChem:105815 (CAS 71832-69-4), with molecular formula C32H31N3O8S2 and molecular weight 649.16 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of RefChem:105815
Property Insights of RefChem:105815
The XLogP value of 3.49472 indicates that RefChem:105815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting RefChem:105815 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105815 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:105815?
The CAS number of RefChem:105815 is 71832-69-4.
What is the molecular formula of RefChem:105815?
The molecular formula of RefChem:105815 is C32H31N3O8S2.
What is the molecular weight of RefChem:105815?
The molecular weight of RefChem:105815 is 649.16 g/mol.
Where can I buy RefChem:105815?
You can request a quote for RefChem:105815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.