EINECS 273-850-5
TL;DR: EINECS 273-850-5 (CAS 69060-00-0) is a chemical compound with molecular formula C27H28NO6+ and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Also Known As: EINECS 273-850-5, (4-(Bis(3-(carboxymethyl)-4-methoxyphenyl)methylene)-2,5-cyclohexadien-1-ylidene)dimethylammonium, [4-[Bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium, [4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium, N-[4-[Bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium
| Molecular Formula | C27H28NO6+ |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 3.599 |
| Topological Polar Surface Area | 96.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.19165 |
| Heavy Atoms | 34 |
| Complexity | 1158.2617 |
Chemical Identifiers
| CAS Number | 69060-00-0 |
|---|---|
| SMILES | C[N+](=C1C=CC(=C(C2=CC(=C(C=C2)OC)CC(=O)O)C3=CC(=C(C=C3)OC)CC(=O)O)C=C1)C |
Product Overview
EINECS 273-850-5 (CAS 69060-00-0), with molecular formula C27H28NO6+ and molecular weight 462.19 g/mol. IUPAC: [4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
Chemical Property Profile of EINECS 273-850-5
Property Insights of EINECS 273-850-5
The XLogP value of 3.599 indicates that EINECS 273-850-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.07 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 273-850-5. Following Lipinski's Rule of Five, EINECS 273-850-5 has 2 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 273-850-5?
The CAS number of EINECS 273-850-5 is 69060-00-0.
What is the molecular formula of EINECS 273-850-5?
The molecular formula of EINECS 273-850-5 is C27H28NO6+.
What is the molecular weight of EINECS 273-850-5?
The molecular weight of EINECS 273-850-5 is 462.19 g/mol.
Where can I buy EINECS 273-850-5?
You can request a quote for EINECS 273-850-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-850-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-850-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.