1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride
TL;DR: 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride (CAS 51734-37-3) is a chemical compound with molecular formula C22H40Cl2N2O2 and molecular weight 434.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[bis(2-methylpropyl)amino]-3-(diethylamino)propan-2-yl] benzoate;dihydrochloride
Also Known As: 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride, 1-(Bis(2-methylpropyl)amino)-3-(diethylamino)-2-propanol benzoate (ester) dihydrochloride, 2-Propanol, 1-(bis(2-methylpropyl)amino)-3-(diethylamino)-, benzoate (ester), dihydrochloride, [1-[bis(2-methylpropyl)amino]-3-(diethylamino)propan-2-yl] benzoate dihydrochloride, 1-[Bis(2-methylpropyl)amino]-3-(diethylamino)propan-2-yl benzoate--hydrogen chloride (1/2)
| Molecular Formula | C22H40Cl2N2O2 |
|---|---|
| Molecular Weight | 434.25 g/mol |
| LogP | 5.0114 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.24667 |
| Heavy Atoms | 28 |
| Complexity | 498.51804 |
Chemical Identifiers
| CAS Number | 51734-37-3 |
|---|---|
| SMILES | CCN(CC)CC(CN(CC(C)C)CC(C)C)OC(=O)C1=CC=CC=C1.Cl.Cl |
Product Overview
1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride (CAS 51734-37-3), with molecular formula C22H40Cl2N2O2 and molecular weight 434.25 g/mol. IUPAC: [1-[bis(2-methylpropyl)amino]-3-(diethylamino)propan-2-yl] benzoate;dihydrochloride.
Chemical Property Profile of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride
Property Insights of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride
The XLogP value of 5.0114 indicates that 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride?
The CAS number of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride is 51734-37-3.
What is the molecular formula of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride?
The molecular formula of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride is C22H40Cl2N2O2.
What is the molecular weight of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride?
The molecular weight of 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride is 434.25 g/mol.
Where can I buy 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride?
You can request a quote for 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Diethylamino-3-(diisobutylamino)-2-propanol benzoate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.