EINECS 229-418-3
TL;DR: EINECS 229-418-3 (CAS 6527-75-9) is a chemical compound with molecular formula C26H32ClN3 and molecular weight 421.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(dimethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Also Known As: EINECS 229-418-3, [4-[[4-(dimethylamino)-2-methylphenyl]-(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride, [4-[[4-(dimethylamino)-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride
| Molecular Formula | C26H32ClN3 |
|---|---|
| Molecular Weight | 421.23 g/mol |
| LogP | 1.77202 |
| Topological Polar Surface Area | 9.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.2285 |
| Heavy Atoms | 30 |
| Complexity | 1000.74426 |
Chemical Identifiers
| CAS Number | 6527-75-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(C)C)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-] |
Product Overview
EINECS 229-418-3 (CAS 6527-75-9), with molecular formula C26H32ClN3 and molecular weight 421.23 g/mol. IUPAC: [4-[[4-(dimethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
Chemical Property Profile of EINECS 229-418-3
Property Insights of EINECS 229-418-3
The XLogP value of 1.77202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 229-418-3. With a topological polar surface area (TPSA) of 9.49 Ų, EINECS 229-418-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 229-418-3 has 0 hydrogen bond donor(s) and 2 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 229-418-3?
The CAS number of EINECS 229-418-3 is 6527-75-9.
What is the molecular formula of EINECS 229-418-3?
The molecular formula of EINECS 229-418-3 is C26H32ClN3.
What is the molecular weight of EINECS 229-418-3?
The molecular weight of EINECS 229-418-3 is 421.23 g/mol.
Where can I buy EINECS 229-418-3?
You can request a quote for EINECS 229-418-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-418-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-418-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.