1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate
TL;DR: 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate (CAS 42558-62-3) is a chemical compound with molecular formula C24H32N10O6S and molecular weight 588.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[(3-ethyl-4-oxophthalazin-1-yl)methyl]guanidine);sulfuric acid
Also Known As: 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate, 2-Ethyl-4-(guanidinomethyl)-1-phthalazone, hemisulfate, sesquihydrate, C12H15N5O.1/2H2O4S.3/2H2O, C12-H15-N5-O.1/2H2-O4-S.3/2H2-O, 2-[(3-ethyl-4-oxophthalazin-1-yl)methyl]guanidine; sulfuric acid
| Molecular Formula | C24H32N10O6S |
|---|---|
| Molecular Weight | 588.22 g/mol |
| LogP | -0.2732 |
| Topological Polar Surface Area | 273.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.2227 |
| Heavy Atoms | 41 |
| Complexity | 1665.5354 |
Chemical Identifiers
| CAS Number | 42558-62-3 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.CCN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.OS(=O)(=O)O |
Product Overview
1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate (CAS 42558-62-3), with molecular formula C24H32N10O6S and molecular weight 588.22 g/mol. IUPAC: bis(2-[(3-ethyl-4-oxophthalazin-1-yl)methyl]guanidine);sulfuric acid.
Chemical Property Profile of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate
Property Insights of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate
The XLogP value of -0.2732 indicates that 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate 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, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate 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, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate?
The CAS number of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate is 42558-62-3.
What is the molecular formula of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate?
The molecular formula of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate is C24H32N10O6S.
What is the molecular weight of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate?
The molecular weight of 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate is 588.22 g/mol.
Where can I buy 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate?
You can request a quote for 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate 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, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 2-ethyl-4-(guanidinomethyl)-, hemisulfate, sesquihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.