Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate
TL;DR: Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate (CAS 101651-96-1) is a chemical compound with molecular formula C17H22ClN5O6S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-dimethylazanium;hydrogen sulfate
Also Known As: 7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate, ISOALLOXAZINE, 7-CHLORO-10-(4-(DIMETHYLAMINO)-1-METHYLBUTYL)-, SULFATE, 4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-dimethylazanium; hydrogen sulfate, 4-(7-chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-n,n-dimethylpentan-1-aminiumhydrogen sulfate, RefChem:349539
| Molecular Formula | C17H22ClN5O6S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.09793 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 101651-96-1 |
|---|---|
| SMILES | CC(CCC[NH+](C)C)N1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O.OS(=O)(=O)[O-] |
| InChIKey | CKNQJRCNEDWFEE-UHFFFAOYSA-N |
Product Overview
Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate (CAS 101651-96-1), with molecular formula C17H22ClN5O6S and molecular weight 459.10 g/mol. IUPAC: 4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-dimethylazanium;hydrogen sulfate.
Chemical Property Profile of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate
Property Insights of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate
The XLogP value of -0.27 indicates that Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate?
The CAS number of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate is 101651-96-1.
What is the molecular formula of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate?
The molecular formula of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate is C17H22ClN5O6S.
What is the molecular weight of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate?
The molecular weight of Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate is 459.10 g/mol.
Where can I buy Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate?
You can request a quote for Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate?
Yes, KEHONG BIO provides custom synthesis services for Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.