RefChem:1084458
TL;DR: RefChem:1084458 (CAS 59160-36-0) is a chemical compound with molecular formula C19H25NO7S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methylthiophen-2-yl)ethanol;oxalic acid
Also Known As: 2-(((3,4-Dimethoxyphenyl)ethyl)amino)-1-(5-methyl-2-thienyl)ethanol oxalate, Ethanol, 2-((3,4-dimethoxyphenethyl)amino)-1-(5-methyl-2-thienyl)-, oxalate (1:1), 2-Thiophenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-5-methyl-, oxalate, 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methylthiophen-2-yl)ethanol; oxalic acid, RefChem:1084458
| Molecular Formula | C19H25NO7S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.09502 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.13516 |
| Heavy Atoms | 28 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 59160-36-0 |
|---|---|
| SMILES | CC1=CC=C(S1)C(CNCCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O |
| InChIKey | MRPUNHSJARMLBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1084458 (CAS 59160-36-0), with molecular formula C19H25NO7S and molecular weight 411.14 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methylthiophen-2-yl)ethanol;oxalic acid.
Chemical Property Profile of RefChem:1084458
Property Insights of RefChem:1084458
The XLogP value of 2.09502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084458. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:1084458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084458 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 RefChem:1084458?
The CAS number of RefChem:1084458 is 59160-36-0.
What is the molecular formula of RefChem:1084458?
The molecular formula of RefChem:1084458 is C19H25NO7S.
What is the molecular weight of RefChem:1084458?
The molecular weight of RefChem:1084458 is 411.14 g/mol.
Where can I buy RefChem:1084458?
You can request a quote for RefChem:1084458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.