EINECS 251-412-4
TL;DR: EINECS 251-412-4 (CAS 33231-00-4) is a chemical compound with molecular formula C27H35Cl2N3 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium dichloride
Also Known As: EINECS 251-412-4, [4-[(Z)-(4-dimethylaminophenyl)-(4-dimethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium dichloride, 4-((4-(Dimethylamino)-m-tolyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N,N-trimethylanilinium dichloride, 4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride
| Molecular Formula | C27H35Cl2N3 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | -1.0116 |
| Topological Polar Surface Area | 6.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.2208 |
| Heavy Atoms | 32 |
| Complexity | 1045.5754 |
Chemical Identifiers
| CAS Number | 33231-00-4 |
|---|---|
| SMILES | CC1=C/C(=C(/C2=CC=C(C=C2)N(C)C)\C3=CC=C(C=C3)[N+](C)(C)C)/C=CC1=[N+](C)C.[Cl-].[Cl-] |
Product Overview
EINECS 251-412-4 (CAS 33231-00-4), with molecular formula C27H35Cl2N3 and molecular weight 471.22 g/mol. IUPAC: [4-[(Z)-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium dichloride.
Chemical Property Profile of EINECS 251-412-4
Property Insights of EINECS 251-412-4
The XLogP value of -1.0116 indicates that EINECS 251-412-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.25 Ų, EINECS 251-412-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 251-412-4 has 0 hydrogen bond donor(s) and 1 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 251-412-4?
The CAS number of EINECS 251-412-4 is 33231-00-4.
What is the molecular formula of EINECS 251-412-4?
The molecular formula of EINECS 251-412-4 is C27H35Cl2N3.
What is the molecular weight of EINECS 251-412-4?
The molecular weight of EINECS 251-412-4 is 471.22 g/mol.
Where can I buy EINECS 251-412-4?
You can request a quote for EINECS 251-412-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 251-412-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 251-412-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.