RefChem:189308
TL;DR: RefChem:189308 (CAS 71077-36-6) is a chemical compound with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;methyl sulfate
Also Known As: Thiazolium, 3-methyl-2-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, methyl sulfate, Thiazolium, 3-methyl-2-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, methyl sulfate (1:1), Thiazolium, 3-methyl-2-((4-(methyl(phenylmethyl)amino)phenyl)azo)-, methyl sulfate, 2-((4-(Benzylmethylamino)phenyl)azo)-3-methylthiazolium methyl sulphate, 2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium methyl sulphate
| Molecular Formula | C19H22N4O4S2 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 3.7174 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10825 |
| Heavy Atoms | 29 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 71077-36-6 |
|---|---|
| SMILES | C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-] |
| InChIKey | YVGRPKSEOSMEMN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:189308 (CAS 71077-36-6), with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol. IUPAC: N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline;methyl sulfate.
Chemical Property Profile of RefChem:189308
Property Insights of RefChem:189308
The XLogP value of 3.7174 indicates that RefChem:189308 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:189308. Following Lipinski's Rule of Five, RefChem:189308 has 0 hydrogen bond donor(s) and 8 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 RefChem:189308?
The CAS number of RefChem:189308 is 71077-36-6.
What is the molecular formula of RefChem:189308?
The molecular formula of RefChem:189308 is C19H22N4O4S2.
What is the molecular weight of RefChem:189308?
The molecular weight of RefChem:189308 is 434.11 g/mol.
Where can I buy RefChem:189308?
You can request a quote for RefChem:189308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:189308?
Yes, KEHONG BIO provides custom synthesis services for RefChem:189308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.