1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate
TL;DR: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate (CAS 42558-61-2) is a chemical compound with molecular formula C22H28N10O6S and molecular weight 560.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[(3-methyl-4-oxophthalazin-1-yl)methyl]guanidine);sulfuric acid
Also Known As: C11H13N5O.1/2H2O4S, 4-(Guanidinomethyl)-2-methyl-1-phthalazone hemisulfate, 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate, C11-H13-N5-O.1/2H2-O4-S, 2-[(3-methyl-4-oxophthalazin-1-yl)methyl]guanidine; sulfuric acid
| Molecular Formula | C22H28N10O6S |
|---|---|
| Molecular Weight | 560.19 g/mol |
| LogP | -1.239 |
| Topological Polar Surface Area | 273.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.1914 |
| Heavy Atoms | 39 |
| Complexity | 1632.0227 |
Chemical Identifiers
| CAS Number | 42558-61-2 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.OS(=O)(=O)O |
Product Overview
1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate (CAS 42558-61-2), with molecular formula C22H28N10O6S and molecular weight 560.19 g/mol. IUPAC: bis(2-[(3-methyl-4-oxophthalazin-1-yl)methyl]guanidine);sulfuric acid.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate
Property Insights of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate
The XLogP value of -1.239 indicates that 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.18 Ų indicates high polarity, suggesting 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate has 6 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 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate?
The CAS number of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate is 42558-61-2.
What is the molecular formula of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate?
The molecular formula of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate is C22H28N10O6S.
What is the molecular weight of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate?
The molecular weight of 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate is 560.19 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate?
You can request a quote for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, 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-methyl-, hemisulfate?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.