2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt
TL;DR: 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt (CAS 39815-61-7) is a chemical compound with molecular formula C24H33NO6 and molecular weight 431.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)-3-(1,3-diphenylpropan-2-yloxy)propan-2-ol;oxalic acid
Also Known As: tropine mesylate, KST-1B3935, 1-((alpha-Benzylphenethyl)oxy)-3-(diethylamino)-2-propanol oxalate salt, 1-(diethylamino)-3-[(1,3-diphenylpropan-2-yl)oxy]propan-2-ol ethanedioate(1:1), 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt
| Molecular Formula | C24H33NO6 |
|---|---|
| Molecular Weight | 431.23 g/mol |
| LogP | 2.7153 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 431.23077 |
| Heavy Atoms | 31 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 39815-61-7 |
|---|---|
| SMILES | CCN(CC)CC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O.C(=O)(C(=O)O)O |
| InChIKey | RITJTUJSFFFNSF-UHFFFAOYSA-N |
Product Overview
2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt (CAS 39815-61-7), with molecular formula C24H33NO6 and molecular weight 431.23 g/mol. IUPAC: 1-(diethylamino)-3-(1,3-diphenylpropan-2-yloxy)propan-2-ol;oxalic acid.
Chemical Property Profile of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt
Property Insights of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt
The XLogP value of 2.7153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt. Following Lipinski's Rule of Five, 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt has 3 hydrogen bond donor(s) and 7 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 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt?
The CAS number of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt is 39815-61-7.
What is the molecular formula of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt?
The molecular formula of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt is C24H33NO6.
What is the molecular weight of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt?
The molecular weight of 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt is 431.23 g/mol.
Where can I buy 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt?
You can request a quote for 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt?
Yes, KEHONG BIO provides custom synthesis services for 2-propanol, 1-((alpha-benzylphenethyl)oxy)-3-(diethylamino)-, oxalate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.