1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride
TL;DR: 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride (CAS 51777-67-4) is a chemical compound with molecular formula C22H38ClNO3 and molecular weight 399.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[bis(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-yl] benzoate;hydrochloride
Also Known As: 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride, 2-Propanol, 1-(bis(2-methylpropyl)amino)-3-(2-methylpropoxy)-, benzoate (ester), hydrochloride, [1-[bis(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-yl] benzoate hydrochloride, 1-[Bis(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-yl benzoate--hydrogen chloride (1/1), RefChem:265803
| Molecular Formula | C22H38ClNO3 |
|---|---|
| Molecular Weight | 399.25 g/mol |
| LogP | 4.9204 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 399.25403 |
| Heavy Atoms | 27 |
| Complexity | 495.53918 |
Chemical Identifiers
| CAS Number | 51777-67-4 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CC(COCC(C)C)OC(=O)C1=CC=CC=C1.Cl |
Product Overview
1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride (CAS 51777-67-4), with molecular formula C22H38ClNO3 and molecular weight 399.25 g/mol. IUPAC: [1-[bis(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-yl] benzoate;hydrochloride.
Chemical Property Profile of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride
Property Insights of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride
The XLogP value of 4.9204 indicates that 1-(Diisobutylamino)-3-isobutoxy-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 38.77 Ų, 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride has 0 hydrogen bond donor(s) and 4 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 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride?
The CAS number of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride is 51777-67-4.
What is the molecular formula of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride?
The molecular formula of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride is C22H38ClNO3.
What is the molecular weight of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride?
The molecular weight of 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride is 399.25 g/mol.
Where can I buy 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride?
You can request a quote for 1-(Diisobutylamino)-3-isobutoxy-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-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.