Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride (CAS 37046-98-3) is a chemical compound with molecular formula C28H36ClN3O9S and molecular weight 625.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[methyl(prop-2-enyl)amino]-3-(6,7,8-trimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride, [1-[methyl(prop-2-enyl)amino]-3-(6,7,8-trimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate hydrochloride, 1-[Methyl(prop-2-en-1-yl)amino]-3-(6,7,8-trimethoxy-4-oxo-2-sulfanylquinazolin-3(4H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), RefChem:326991
| Molecular Formula | C28H36ClN3O9S |
|---|---|
| Molecular Weight | 625.19 g/mol |
| LogP | 3.87589 |
| Topological Polar Surface Area | 122.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 625.1861 |
| Heavy Atoms | 42 |
| Complexity | 1514.7601 |
Chemical Identifiers
| CAS Number | 37046-98-3 |
|---|---|
| SMILES | CN(CC=C)CC(CN1C(=O)C2=CC(=C(C(=C2NC1=S)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride (CAS 37046-98-3), with molecular formula C28H36ClN3O9S and molecular weight 625.19 g/mol. IUPAC: [1-[methyl(prop-2-enyl)amino]-3-(6,7,8-trimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride
The XLogP value of 3.87589 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride 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-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride is 37046-98-3.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride is C28H36ClN3O9S.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride is 625.19 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride 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-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1-((1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl)-2-(methyl(2-propenyl)amino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.