(2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid
TL;DR: (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid (CAS 228581-97-3) is a chemical compound with molecular formula C27H33N5O5S and molecular weight 539.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoyl]-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
Also Known As: (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 1-((2S)-3-(4-(aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-, (2R)-, 4-Methyl-1-[N-(2-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonyl)-3-amidino-(S)-phenylalanyl]-1,2,3,6-tetrahydropyridine-2(R)-carboxylic acid
| Molecular Formula | C27H33N5O5S |
|---|---|
| Molecular Weight | 539.22 g/mol |
| LogP | 1.47997 |
| Topological Polar Surface Area | 156.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.2202 |
| Heavy Atoms | 38 |
| Complexity | 1404.3184 |
Chemical Identifiers
| CAS Number | 228581-97-3 |
|---|---|
| SMILES | CC1=CCN([C@H](C1)C(=O)O)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3 |
Product Overview
(2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid (CAS 228581-97-3), with molecular formula C27H33N5O5S and molecular weight 539.22 g/mol. IUPAC: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoyl]-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid.
Chemical Property Profile of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid
Property Insights of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid
The XLogP value of 1.47997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid. The TPSA of 156.89 Ų indicates high polarity, suggesting (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid?
The CAS number of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid is 228581-97-3.
What is the molecular formula of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid?
The molecular formula of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid is C27H33N5O5S.
What is the molecular weight of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid?
The molecular weight of (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid is 539.22 g/mol.
Where can I buy (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid?
You can request a quote for (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-1-((2S)-3-(4-(Aminoiminomethyl)phenyl)-1-oxo-2-(((1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl)amino)propyl)-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.