1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate
TL;DR: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate (CAS 42558-63-4) is a chemical compound with molecular formula C34H38N12O6S and molecular weight 742.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine);sulfuric acid
Also Known As: C17H18N6O.1/2H2O4S, 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate, 4-(Guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-1-phthalazone hemisulfate, C17-H18-N6-O.1/2H2-O4-S, 2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine; sulfuric acid
| Molecular Formula | C34H38N12O6S |
|---|---|
| Molecular Weight | 742.28 g/mol |
| LogP | 0.9624 |
| Topological Polar Surface Area | 298.96 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 742.2758 |
| Heavy Atoms | 53 |
| Complexity | 2266.2275 |
Chemical Identifiers
| CAS Number | 42558-63-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.OS(=O)(=O)O |
Product Overview
1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate (CAS 42558-63-4), with molecular formula C34H38N12O6S and molecular weight 742.28 g/mol. IUPAC: bis(2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine);sulfuric acid.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate
Property Insights of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate
The XLogP value of 0.9624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate. The TPSA of 298.96 Ų indicates high polarity, suggesting 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate?
The CAS number of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate is 42558-63-4.
What is the molecular formula of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate?
The molecular formula of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate is C34H38N12O6S.
What is the molecular weight of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate?
The molecular weight of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate is 742.28 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate?
You can request a quote for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.