Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)
TL;DR: Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) (CAS 79916-07-7) is a chemical compound with molecular formula C22H29N3O3 and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium acetate
Also Known As: 3,7-Bis(diethylamino)phenoxazin-5-ium acetate, Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate, Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1), [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium acetate, 279-349-8
| Molecular Formula | C22H29N3O3 |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 2.347 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.2209 |
| Heavy Atoms | 28 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 79916-07-7 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.CC(=O)[O-] |
| InChIKey | PAQRKFBPHDBILN-UHFFFAOYSA-M |
Product Overview
Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) (CAS 79916-07-7), with molecular formula C22H29N3O3 and molecular weight 383.22 g/mol. IUPAC: [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium acetate.
Chemical Property Profile of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)
Property Insights of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)
The XLogP value of 2.347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1). The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1). Following Lipinski's Rule of Five, Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) has 0 hydrogen bond donor(s) and 5 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 Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)?
The CAS number of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) is 79916-07-7.
What is the molecular formula of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)?
The molecular formula of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) is C22H29N3O3.
What is the molecular weight of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)?
The molecular weight of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) is 383.22 g/mol.
Where can I buy Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)?
You can request a quote for Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenoxazin-5-ium, 3,7-bis(diethylamino)-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.