1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-
TL;DR: 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- (CAS 67828-29-9) is a chemical compound with molecular formula C37H38N2O6S2 and molecular weight 670.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis[4-[benzyl(ethyl)amino]phenyl]methyl]benzene-1,3-disulfonic acid
Also Known As: 4-(bis{4-[benzyl(ethyl)amino]phenyl}methyl)benzene-1,3-disulfonic acid, 1,3-Benzenedisulfonic acid, 4-[bis[4-[ethyl(phenylmethyl)amino]phenyl]methyl]-, 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-, 4-(Bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)benzene-1,3-disulphonic acid, 4-[bis[4-[benzyl(ethyl)amino]phenyl]methyl]benzene-1,3-disulfonic acid
| Molecular Formula | C37H38N2O6S2 |
|---|---|
| Molecular Weight | 670.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 670.2171 |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 67828-29-9 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(CC)CC4=CC=CC=C4)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VMXLVYWJPWIZHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- (CAS 67828-29-9), with molecular formula C37H38N2O6S2 and molecular weight 670.22 g/mol. IUPAC: 4-[bis[4-[benzyl(ethyl)amino]phenyl]methyl]benzene-1,3-disulfonic acid.
Chemical Property Profile of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-
Property Insights of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-
The XLogP value of 6.8 indicates that 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-?
The CAS number of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- is 67828-29-9.
What is the molecular formula of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-?
The molecular formula of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- is C37H38N2O6S2.
What is the molecular weight of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-?
The molecular weight of 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- is 670.22 g/mol.
Where can I buy 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-?
You can request a quote for 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedisulfonic acid, 4-(bis(4-(ethyl(phenylmethyl)amino)phenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.