E 6080
TL;DR: E 6080 (CAS 120164-49-0) is a chemical compound with molecular formula C17H20ClN3O3S2 and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 6080
4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide;hydrochloride
Also Known As: E 6080 HCl, SID:99222712, 6-Hydroxy-2-(4-sulfamoylbenzylamine)-4,5,7-trimethylbenzothiazole hcl, 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide;hydrochloride, Benzenesulfonamide, 4-(((6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)amino)methyl)-, monohydrochloride
| Molecular Formula | C17H20ClN3O3S2 |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 3.60846 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.06348 |
| Heavy Atoms | 26 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 120164-49-0 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)O)C.Cl |
| InChIKey | WLODMDLNSQYBMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E 6080 (CAS 120164-49-0), with molecular formula C17H20ClN3O3S2 and molecular weight 413.06 g/mol. IUPAC: 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide;hydrochloride.
Chemical Property Profile of E 6080
Property Insights of E 6080
The XLogP value of 3.60846 indicates that E 6080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting E 6080 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 6080 has 4 hydrogen bond donor(s) and 7 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 E 6080?
The CAS number of E 6080 is 120164-49-0.
What is the molecular formula of E 6080?
The molecular formula of E 6080 is C17H20ClN3O3S2.
What is the molecular weight of E 6080?
The molecular weight of E 6080 is 413.06 g/mol.
Where can I buy E 6080?
You can request a quote for E 6080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 6080?
Yes, KEHONG BIO provides custom synthesis services for E 6080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.