Kwd 2131
TL;DR: Kwd 2131 (CAS 63546-99-6) is a chemical compound with molecular formula C24H40N2O12S and molecular weight 580.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-[1-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzene-1,3-diol);sulfuric acid
Also Known As: Kwd 2131, 1-(3,5-Dihydroxyphenyl)-2-((1,1-dimethyl-2-hydroxyethyl)amino)ethanol sulfate, 5-[1-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzene-1,3-diol;sulfuric acid, 1,3-Benzenediol, 5-(1-hydroxy-2-((2-hydroxy-1,1-dimethylethyl)amino)ethyl)-, sulfate (2:1) (salt), 5-[1-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzene-1,3-diol; sulfuric acid
| Molecular Formula | C24H40N2O12S |
|---|---|
| Molecular Weight | 580.23 g/mol |
| LogP | 0.3306 |
| Topological Polar Surface Area | 269.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 580.2302 |
| Heavy Atoms | 39 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 63546-99-6 |
|---|---|
| SMILES | CC(C)(CO)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(CO)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O |
| InChIKey | VUDSOUNZIXESSU-UHFFFAOYSA-N |
Product Overview
Kwd 2131 (CAS 63546-99-6), with molecular formula C24H40N2O12S and molecular weight 580.23 g/mol. IUPAC: bis(5-[1-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzene-1,3-diol);sulfuric acid.
Chemical Property Profile of Kwd 2131
Property Insights of Kwd 2131
The XLogP value of 0.3306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kwd 2131. The TPSA of 269.0 Ų indicates high polarity, suggesting Kwd 2131 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kwd 2131 has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kwd 2131?
The CAS number of Kwd 2131 is 63546-99-6.
What is the molecular formula of Kwd 2131?
The molecular formula of Kwd 2131 is C24H40N2O12S.
What is the molecular weight of Kwd 2131?
The molecular weight of Kwd 2131 is 580.23 g/mol.
Where can I buy Kwd 2131?
You can request a quote for Kwd 2131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kwd 2131?
Yes, KEHONG BIO provides custom synthesis services for Kwd 2131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.