Benzothiazole, 2-butyl-6-phenyl-
TL;DR: Benzothiazole, 2-butyl-6-phenyl- (CAS 55000-40-3) is a chemical compound with molecular formula C17H17NS and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-phenyl-1,3-benzothiazole
Also Known As: 2-Butyl-6-phenylbenzothiazole, Benzothiazole, 2-butyl-6-phenyl-, 2-Butyl-6-phenyl-1,3-benzothiazole, 2-Butyl-6-phenyl-1,3-benzothiazole #
| Molecular Formula | C17H17NS |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.1082 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 55000-40-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(S1)C=C(C=C2)C3=CC=CC=C3 |
| InChIKey | KWYBNADSAZOIIK-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-butyl-6-phenyl- (CAS 55000-40-3), with molecular formula C17H17NS and molecular weight 267.11 g/mol. IUPAC: 2-butyl-6-phenyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-butyl-6-phenyl-
Property Insights of Benzothiazole, 2-butyl-6-phenyl-
The XLogP value of 5.7 indicates that Benzothiazole, 2-butyl-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Benzothiazole, 2-butyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-butyl-6-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-butyl-6-phenyl-?
The CAS number of Benzothiazole, 2-butyl-6-phenyl- is 55000-40-3.
What is the molecular formula of Benzothiazole, 2-butyl-6-phenyl-?
The molecular formula of Benzothiazole, 2-butyl-6-phenyl- is C17H17NS.
What is the molecular weight of Benzothiazole, 2-butyl-6-phenyl-?
The molecular weight of Benzothiazole, 2-butyl-6-phenyl- is 267.11 g/mol.
Where can I buy Benzothiazole, 2-butyl-6-phenyl-?
You can request a quote for Benzothiazole, 2-butyl-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-butyl-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-butyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.