![4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate structure](/static/products/1610/16109-97-0.webp)
4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
TL;DR: 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate (CAS 16109-97-0) is a chemical compound with molecular formula C31H33N2O6S2- and molecular weight 593.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate
Also Known As: 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate, 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate, Hydrogen (4-(4-(diethylamino)-alpha-(3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, EINECS 240-277-7
| Molecular Formula | C31H33N2O6S2- |
|---|---|
| Molecular Weight | 593.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.178 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 16109-97-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-] |
| InChIKey | FBOFCSLSBCNGMH-UHFFFAOYSA-M |
Product Overview
4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate (CAS 16109-97-0), with molecular formula C31H33N2O6S2- and molecular weight 593.18 g/mol. IUPAC: 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
Property Insights of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
The XLogP value of 4.7 indicates that 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate. Following Lipinski's Rule of Five, 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate?
The CAS number of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate is 16109-97-0.
What is the molecular formula of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate?
The molecular formula of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate is C31H33N2O6S2-.
What is the molecular weight of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate?
The molecular weight of 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate is 593.18 g/mol.
Where can I buy 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate?
You can request a quote for 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.