2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride
TL;DR: 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride (CAS 39811-11-5) is a chemical compound with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-diphenylpropan-2-yloxy)-3-(2-methylpropylamino)propan-2-ol;hydrochloride
Also Known As: tropine mesylate, KST-1B3934, 1-((alpha-Benzylphenethyl)oxy)-3-(isobutylamino)-2-propanol hydrochloride, 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride, 1-[(1,3-diphenylpropan-2-yl)oxy]-3-[(2-methylpropyl)amino]propan-2-ol hydrochloride(1:1)
| Molecular Formula | C22H32ClNO2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 3.8853 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.21216 |
| Heavy Atoms | 26 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 39811-11-5 |
|---|---|
| SMILES | CC(C)CNCC(COC(CC1=CC=CC=C1)CC2=CC=CC=C2)O.Cl |
| InChIKey | LQCQLTBNGNRPIE-UHFFFAOYSA-N |
Product Overview
2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride (CAS 39811-11-5), with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol. IUPAC: 1-(1,3-diphenylpropan-2-yloxy)-3-(2-methylpropylamino)propan-2-ol;hydrochloride.
Chemical Property Profile of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride
Property Insights of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride
The XLogP value of 3.8853 indicates that 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride has 3 hydrogen bond donor(s) and 3 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-(isobutylamino)-, hydrochloride?
The CAS number of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride is 39811-11-5.
What is the molecular formula of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride?
The molecular formula of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride is C22H32ClNO2.
What is the molecular weight of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride?
The molecular weight of 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride is 377.21 g/mol.
Where can I buy 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride?
You can request a quote for 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride 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-(isobutylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(isobutylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.