Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)
TL;DR: Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) (CAS 81695-89-8) is a chemical compound with molecular formula C26H37N3O8S and molecular weight 551.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[4-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide;methanesulfonic acid
Also Known As: Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt), 5-(2-{[4-(4,4-Dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-2-methylbutan-2-yl]amino}-1-hydroxyethyl)-2-hydroxy-N-methylbenzene-1-carboximidic acid--methanesulfonic acid (1/1), 5-[2-[[4-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide,methanesulfonic acid, 5-[2-[[4-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide; methanesulfonic acid, 5-[2-[[4-(7,7-dimethyl-9-oxo-8-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl)-2-methyl-butan-2-yl]amino]-1-hydroxy-ethyl]-2-hydroxy-N-methyl-benzamide; methanesulfonic acid
| Molecular Formula | C26H37N3O8S |
|---|---|
| Molecular Weight | 551.23 g/mol |
| LogP | 2.9394 |
| Topological Polar Surface Area | 165.5 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.23016 |
| Heavy Atoms | 38 |
| Complexity | 1252.8896 |
Chemical Identifiers
| CAS Number | 81695-89-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C(=O)O1)CCC(C)(C)NCC(C3=CC(=C(C=C3)O)C(=O)NC)O)C.CS(=O)(=O)O |
Product Overview
Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) (CAS 81695-89-8), with molecular formula C26H37N3O8S and molecular weight 551.23 g/mol. IUPAC: 5-[2-[[4-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxy-N-methylbenzamide;methanesulfonic acid.
Chemical Property Profile of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)
Property Insights of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)
The XLogP value of 2.9394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt). The TPSA of 165.5 Ų indicates high polarity, suggesting Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)?
The CAS number of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) is 81695-89-8.
What is the molecular formula of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)?
The molecular formula of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) is C26H37N3O8S.
What is the molecular weight of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)?
The molecular weight of Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) is 551.23 g/mol.
Where can I buy Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)?
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Does KEHONG BIO offer custom synthesis for Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt)?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 5-(2-((3-(4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1,1-dimethylpropyl)amino)-1-hydroxyethyl)-2-hydroxy-N-methyl-, monomethanesulfonate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.