EINECS 286-195-5
TL;DR: EINECS 286-195-5 (CAS 85188-04-1) is a chemical compound with molecular formula C22H26N3O4P and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-azaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methylphenyl)methyl]-2-methylphenyl]azanium phosphate
Also Known As: EINECS 286-195-5, [4-[(4-azaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methylphenyl)methyl]-2-methylphenyl]azanium phosphate, 4-((4-Ammonio-3-methylphenyl)(4-iminio-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)-2-methylanilinium phosphate, 4-[(4-Ammonio-3-methylphenyl)(4-iminio-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylanilinium phosphate
| Molecular Formula | C22H26N3O4P |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | -1.25626 |
| Topological Polar Surface Area | 167.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.1661 |
| Heavy Atoms | 30 |
| Complexity | 1065.4331 |
Chemical Identifiers
| CAS Number | 85188-04-1 |
|---|---|
| SMILES | CC1=CC(=C(C2=CC(=C(C=C2)[NH3+])C)C3=CC(=C(C=C3)[NH3+])C)C=CC1=[NH2+].[O-]P(=O)([O-])[O-] |
Product Overview
EINECS 286-195-5 (CAS 85188-04-1), with molecular formula C22H26N3O4P and molecular weight 427.17 g/mol. IUPAC: [4-[(4-azaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methylphenyl)methyl]-2-methylphenyl]azanium phosphate.
Chemical Property Profile of EINECS 286-195-5
Property Insights of EINECS 286-195-5
The XLogP value of -1.25626 indicates that EINECS 286-195-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.12 Ų indicates high polarity, suggesting EINECS 286-195-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 286-195-5 has 3 hydrogen bond donor(s) and 4 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 EINECS 286-195-5?
The CAS number of EINECS 286-195-5 is 85188-04-1.
What is the molecular formula of EINECS 286-195-5?
The molecular formula of EINECS 286-195-5 is C22H26N3O4P.
What is the molecular weight of EINECS 286-195-5?
The molecular weight of EINECS 286-195-5 is 427.17 g/mol.
Where can I buy EINECS 286-195-5?
You can request a quote for EINECS 286-195-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 286-195-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 286-195-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.