N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine
TL;DR: N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine (CAS 744227-06-3) is a chemical compound with molecular formula C18H20N2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-butan-2-yl-1,3-benzothiazol-2-amine
Also Known As: N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine, N-benzyl-6-sec-butyl-1,3-benzothiazol-2-amine, N-benzyl-6-butan-2-yl-1,3-benzothiazol-2-amine, AB00723630-01
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 5.4219 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 718.4213 |
Chemical Identifiers
| CAS Number | 744227-06-3 |
|---|---|
| SMILES | CCC(C)C1=CC2=C(C=C1)N=C(S2)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine (CAS 744227-06-3), with molecular formula C18H20N2S and molecular weight 296.13 g/mol. IUPAC: N-benzyl-6-butan-2-yl-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine
Property Insights of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine
The XLogP value of 5.4219 indicates that N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine?
The CAS number of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine is 744227-06-3.
What is the molecular formula of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine?
The molecular formula of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine is C18H20N2S.
What is the molecular weight of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine?
The molecular weight of N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine is 296.13 g/mol.
Where can I buy N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine?
You can request a quote for N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-(butan-2-yl)-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.