Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)
TL;DR: Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) (CAS 75859-75-5) is a chemical compound with molecular formula C38H48N2O8 and molecular weight 660.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol);oxalic acid
Also Known As: C18H23NO2.1/2C2H2O2, o-(o-(4-Methylaminobutoxy)benzyl)phenol oxalate (2:1), Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1), 2-(2-Hydroxybenzyl)-1-(4-(methylamino)butoxy)benzene oxalate (2:1), C18-H23-N-O2.1/2C2-H2-O2
| Molecular Formula | C38H48N2O8 |
|---|---|
| Molecular Weight | 660.34 g/mol |
| LogP | 5.8784 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 660.34106 |
| Heavy Atoms | 48 |
| Complexity | 1398.5377 |
Chemical Identifiers
| CAS Number | 75859-75-5 |
|---|---|
| SMILES | CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O.CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2O.C(=O)(C(=O)O)O |
Product Overview
Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) (CAS 75859-75-5), with molecular formula C38H48N2O8 and molecular weight 660.34 g/mol. IUPAC: bis(2-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol);oxalic acid.
Chemical Property Profile of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)
Property Insights of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)
The XLogP value of 5.8784 indicates that Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.58 Ų indicates high polarity, suggesting Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)?
The CAS number of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) is 75859-75-5.
What is the molecular formula of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)?
The molecular formula of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) is C38H48N2O8.
What is the molecular weight of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)?
The molecular weight of Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) is 660.34 g/mol.
Where can I buy Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)?
You can request a quote for Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.