![1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- structure](/static/products/2101/21016-37-5.webp)
1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-
TL;DR: 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- (CAS 21016-37-5) is a chemical compound with molecular formula C27H34N2O6S2 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid
Also Known As: 4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid, 1,3-Benzenedisulfonic acid, 4-(bis(4-(diethylamino)phenyl)methyl)-, 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-, 4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonicacid, 4-[bis[4- phenyl]methyl]benzene-1,3-disulphonicacid
| Molecular Formula | C27H34N2O6S2 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.18585 |
| Heavy Atoms | 37 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 21016-37-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | RJKKOTYXWNWZTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- (CAS 21016-37-5), with molecular formula C27H34N2O6S2 and molecular weight 546.19 g/mol. IUPAC: 4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid.
Chemical Property Profile of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-
Property Insights of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-
The XLogP value of 4.5 indicates that 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)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-(diethylamino)phenyl]methyl]-. Following Lipinski's Rule of Five, 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)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-(diethylamino)phenyl]methyl]-?
The CAS number of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- is 21016-37-5.
What is the molecular formula of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-?
The molecular formula of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- is C27H34N2O6S2.
What is the molecular weight of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-?
The molecular weight of 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- is 546.19 g/mol.
Where can I buy 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-?
You can request a quote for 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)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-(diethylamino)phenyl]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.