Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate
TL;DR: Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate (CAS 83409-41-0) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate
Also Known As: Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate, diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate, N,N-Diethyl-5-[(3-methylphenyl)sulfanyl]-9H-benzo[a]phenoxazin-9-iminium nitrate
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 6.11832 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 83409-41-0 |
|---|---|
| SMILES | CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC(=C5)C)OC2=C1)CC.[N+](=O)([O-])[O-] |
| InChIKey | UBOVXGIROLACCN-UHFFFAOYSA-N |
Product Overview
Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate (CAS 83409-41-0), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate.
Chemical Property Profile of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate
Property Insights of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate
The XLogP value of 6.11832 indicates that Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate. Following Lipinski's Rule of Five, Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate?
The CAS number of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate is 83409-41-0.
What is the molecular formula of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate?
The molecular formula of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate is C27H25N3O4S.
What is the molecular weight of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate?
The molecular weight of Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate is 487.16 g/mol.
Where can I buy Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate?
You can request a quote for Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, N-ethyl-N-(5-((3-methylphenyl)thio)-9H-benzo(a)phenoxazin-9-ylidene)-, nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.