N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine
TL;DR: N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine (CAS 88760-92-3) is a chemical compound with molecular formula C17H19N3S and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(1,3-benzothiazol-2-yl)-3-N,3-N-diethylbenzene-1,3-diamine
Also Known As: N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine, 1-N-(1,3-benzothiazol-2-yl)-3-N,3-N-diethylbenzene-1,3-diami, 1-N-(1,3-benzothiazol-2-yl)-3-N,3-N-diethylbenzene-1,3-diamine
| Molecular Formula | C17H19N3S |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.12997 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 88760-92-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC(=C1)NC2=NC3=CC=CC=C3S2 |
| InChIKey | TUSDMTQIWGPMBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine (CAS 88760-92-3), with molecular formula C17H19N3S and molecular weight 297.13 g/mol. IUPAC: 1-N-(1,3-benzothiazol-2-yl)-3-N,3-N-diethylbenzene-1,3-diamine.
Chemical Property Profile of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine
Property Insights of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine
The XLogP value of 5.1 indicates that N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine?
The CAS number of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine is 88760-92-3.
What is the molecular formula of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine?
The molecular formula of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine is C17H19N3S.
What is the molecular weight of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine?
The molecular weight of N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine is 297.13 g/mol.
Where can I buy N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine?
You can request a quote for N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~3~-(1,3-Benzothiazol-2-yl)-N~1~,N~1~-diethylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.