Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride (CAS 50851-57-5) is a chemical compound with molecular formula C28H38ClN3O9 and molecular weight 595.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride, 1-(Diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride, RefChem:1054646
| Molecular Formula | C28H38ClN3O9 |
|---|---|
| Molecular Weight | 595.23 g/mol |
| LogP | 3.4373 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 595.2297 |
| Heavy Atoms | 41 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 50851-57-5 |
|---|---|
| SMILES | CCN(CC)CC(CN1C(=O)C2=CC(=C(C(=C2C=N1)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl |
| InChIKey | FGKPALWCUMYERI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride (CAS 50851-57-5), with molecular formula C28H38ClN3O9 and molecular weight 595.23 g/mol. IUPAC: [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
The XLogP value of 3.4373 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride is 50851-57-5.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride is C28H38ClN3O9.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride is 595.23 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.