RefChem:564156
TL;DR: RefChem:564156 (CAS 68155-73-7) is a chemical compound with molecular formula C37H38N2O9S3 and molecular weight 750.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2-[bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methyl]-, Benzenesulfonic acid, 2-(bis(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methyl)-, o-(Bis(4-(ethyl((3-sulphophenyl)methyl)amino)phenyl)methyl)benzenesulphonic acid, O-[BIS[4-[ETHYL[(3-SULPHOPHENYL)METHYL]AMINO]PHENYL]METHYL]BENZENESULPHONIC ACID, o-[4,4 -Bis[ethyl(3-sulfobenzyl)amino]benzhydryl]benzenesulfonic acid
| Molecular Formula | C37H38N2O9S3 |
|---|---|
| Molecular Weight | 750.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 750.17395 |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 68155-73-7 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(CC)CC4=CC(=CC=C4)S(=O)(=O)O)C5=CC=CC=C5S(=O)(=O)O |
| InChIKey | QNOYBCOEQMOHFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:564156 (CAS 68155-73-7), with molecular formula C37H38N2O9S3 and molecular weight 750.17 g/mol. IUPAC: 2-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:564156
Property Insights of RefChem:564156
The XLogP value of 5.5 indicates that RefChem:564156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:564156 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564156 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564156?
The CAS number of RefChem:564156 is 68155-73-7.
What is the molecular formula of RefChem:564156?
The molecular formula of RefChem:564156 is C37H38N2O9S3.
What is the molecular weight of RefChem:564156?
The molecular weight of RefChem:564156 is 750.17 g/mol.
Where can I buy RefChem:564156?
You can request a quote for RefChem:564156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564156?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.