地乐酚-三乙醇胺
TL;DR: 地乐酚-三乙醇胺 (CAS 6420-47-9) is a chemical compound with molecular formula C16H27N3O8 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地乐酚-三乙醇胺
2-[bis(2-hydroxyethyl)amino]ethanol;2-butan-2-yl-4,6-dinitrophenol
Also Known As: Dinoseb-trolamine, Gebutox, Caswell No. 128E, Dinoseb-trolamine [ISO], CHEMOX DN
| Molecular Formula | C16H27N3O8 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 0.99 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.1798 |
| Heavy Atoms | 27 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 6420-47-9 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O.C(CO)N(CCO)CCO |
| InChIKey | YRKPPLCJMDGOOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地乐酚-三乙醇胺 (CAS 6420-47-9), with molecular formula C16H27N3O8 and molecular weight 389.18 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-butan-2-yl-4,6-dinitrophenol.
Chemical Property Profile of 地乐酚-三乙醇胺
Property Insights of 地乐酚-三乙醇胺
The XLogP value of 0.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地乐酚-三乙醇胺. The TPSA of 176.0 Ų indicates high polarity, suggesting 地乐酚-三乙醇胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 地乐酚-三乙醇胺 has 4 hydrogen bond donor(s) and 9 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 地乐酚-三乙醇胺?
The CAS number of 地乐酚-三乙醇胺 is 6420-47-9.
What is the molecular formula of 地乐酚-三乙醇胺?
The molecular formula of 地乐酚-三乙醇胺 is C16H27N3O8.
What is the molecular weight of 地乐酚-三乙醇胺?
The molecular weight of 地乐酚-三乙醇胺 is 389.18 g/mol.
Where can I buy 地乐酚-三乙醇胺?
You can request a quote for 地乐酚-三乙醇胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地乐酚-三乙醇胺?
Yes, KEHONG BIO provides custom synthesis services for 地乐酚-三乙醇胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.