7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride
TL;DR: 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride (CAS 6416-51-9) is a chemical compound with molecular formula C16H15ClN2O5 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylate chloride
Also Known As: Prune Pure, Gallo Blue E, Solochrome Prune A, Violet PDH, Solochrome Prune AS
| Molecular Formula | C16H15ClN2O5 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | -1.7259 |
| Topological Polar Surface Area | 94.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.06696 |
| Heavy Atoms | 24 |
| Complexity | 951.1779 |
Chemical Identifiers
| CAS Number | 6416-51-9 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)OC.[Cl-] |
Product Overview
7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride (CAS 6416-51-9), with molecular formula C16H15ClN2O5 and molecular weight 350.07 g/mol. IUPAC: methyl 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylate chloride.
Chemical Property Profile of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride
Property Insights of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride
The XLogP value of -1.7259 indicates that 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride. Following Lipinski's Rule of Five, 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride has 1 hydrogen bond donor(s) and 6 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 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride?
The CAS number of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride is 6416-51-9.
What is the molecular formula of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride?
The molecular formula of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride is C16H15ClN2O5.
What is the molecular weight of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride?
The molecular weight of 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride is 350.07 g/mol.
Where can I buy 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride?
You can request a quote for 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 7-(Dimethylamino)-3,4-dihydroxy-1-(methoxycarbonyl)phenoxazin-5-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.