EINECS 281-485-8
TL;DR: EINECS 281-485-8 (CAS 83950-35-0) is a chemical compound with molecular formula C30H39N3O4 and molecular weight 505.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
Also Known As: EINECS 281-485-8, (4-((4-(Bis(2-hydroxyethyl)amino)-o-tolyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium acetate, [4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate, [4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate, 4-({4-[Bis(2-hydroxyethyl)amino]-2-methylphenyl}[4-(dimethylamino)phenyl]methylidene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium acetate
| Molecular Formula | C30H39N3O4 |
|---|---|
| Molecular Weight | 505.29 g/mol |
| LogP | 2.24922 |
| Topological Polar Surface Area | 90.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.29407 |
| Heavy Atoms | 37 |
| Complexity | 1159.8073 |
Chemical Identifiers
| CAS Number | 83950-35-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCO)CCO)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CC(=O)[O-] |
Product Overview
EINECS 281-485-8 (CAS 83950-35-0), with molecular formula C30H39N3O4 and molecular weight 505.29 g/mol. IUPAC: [4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate.
Chemical Property Profile of EINECS 281-485-8
Property Insights of EINECS 281-485-8
The XLogP value of 2.24922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 281-485-8. The TPSA of 90.08 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 281-485-8. Following Lipinski's Rule of Five, EINECS 281-485-8 has 2 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 EINECS 281-485-8?
The CAS number of EINECS 281-485-8 is 83950-35-0.
What is the molecular formula of EINECS 281-485-8?
The molecular formula of EINECS 281-485-8 is C30H39N3O4.
What is the molecular weight of EINECS 281-485-8?
The molecular weight of EINECS 281-485-8 is 505.29 g/mol.
Where can I buy EINECS 281-485-8?
You can request a quote for EINECS 281-485-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-485-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-485-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.