J453.510C
TL;DR: J453.510C (CAS 77847-16-6) is a chemical compound with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]propane-1-sulfonic acid
Also Known As: 3-[[4-[(Benzothiazol-2-yl)azo]-3-methylphenyl]ethylamino]-1-propanesulfonic acid, 1-Propanesulfonic acid, 3-[[4-(2-benzothiazolylazo)-3-methylphenyl]ethylamino]-, 1-Propanesulfonic acid, 3-[[4-[2-(2-benzothiazolyl)diazenyl]-3-methylphenyl]ethylamino]-, 3-[(4-benzothiazol-2-yldiazenyl-3-methyl-phenyl)-ethyl-amino]propane-1-sulfonic Acid, 3-[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]propane-1-sulfonic acid
| Molecular Formula | C19H22N4O3S2 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.11334 |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 77847-16-6 |
|---|---|
| SMILES | CCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=NC3=CC=CC=C3S2)C |
| InChIKey | VGAKMGKMYKAHMK-UHFFFAOYSA-N |
Product Overview
J453.510C (CAS 77847-16-6), with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol. IUPAC: 3-[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]propane-1-sulfonic acid.
Chemical Property Profile of J453.510C
Property Insights of J453.510C
The XLogP value of 4.6 indicates that J453.510C 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 J453.510C. Following Lipinski's Rule of Five, J453.510C has 1 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 J453.510C?
The CAS number of J453.510C is 77847-16-6.
What is the molecular formula of J453.510C?
The molecular formula of J453.510C is C19H22N4O3S2.
What is the molecular weight of J453.510C?
The molecular weight of J453.510C is 418.11 g/mol.
Where can I buy J453.510C?
You can request a quote for J453.510C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J453.510C?
Yes, KEHONG BIO provides custom synthesis services for J453.510C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.