EINECS 273-859-4
TL;DR: EINECS 273-859-4 (CAS 69087-42-9) is a chemical compound with molecular formula C29H32NO6+ and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis[4-(3-carboxypropoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Also Known As: EINECS 273-859-4, (4-(Bis(4-(3-carboxypropoxy)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, [4-[Bis[4-(3-carboxypropoxy)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, [4-[bis[4-(4-hydroxy-4-oxobutoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium, N-[4-[Bis[4-(3-carboxypropoxy)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium
| Molecular Formula | C29H32NO6+ |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 4.8148 |
| Topological Polar Surface Area | 96.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 490.22296 |
| Heavy Atoms | 36 |
| Complexity | 1097.7751 |
Chemical Identifiers
| CAS Number | 69087-42-9 |
|---|---|
| SMILES | C[N+](=C1C=CC(=C(C2=CC=C(C=C2)OCCCC(=O)O)C3=CC=C(C=C3)OCCCC(=O)O)C=C1)C |
Product Overview
EINECS 273-859-4 (CAS 69087-42-9), with molecular formula C29H32NO6+ and molecular weight 490.22 g/mol. IUPAC: [4-[bis[4-(3-carboxypropoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
Chemical Property Profile of EINECS 273-859-4
Property Insights of EINECS 273-859-4
The XLogP value of 4.8148 indicates that EINECS 273-859-4 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 273-859-4. Following Lipinski's Rule of Five, EINECS 273-859-4 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 273-859-4?
The CAS number of EINECS 273-859-4 is 69087-42-9.
What is the molecular formula of EINECS 273-859-4?
The molecular formula of EINECS 273-859-4 is C29H32NO6+.
What is the molecular weight of EINECS 273-859-4?
The molecular weight of EINECS 273-859-4 is 490.22 g/mol.
Where can I buy EINECS 273-859-4?
You can request a quote for EINECS 273-859-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-859-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-859-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.