Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
TL;DR: Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine (CAS 799259-53-3) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine
Also Known As: BAS 06805147, 1,3-benzothiazol-2-yl(veratryl)amine, Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine, N-(3,4-dimethoxybenzyl)-1,3-benzothiazol-2-amine, N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.9256 |
| Topological Polar Surface Area | 43.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 721.8717 |
Chemical Identifiers
| CAS Number | 799259-53-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3S2)OC |
Product Overview
Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine (CAS 799259-53-3), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine.
Chemical Property Profile of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
Property Insights of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
The XLogP value of 3.9256 indicates that Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.38 Ų, Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine has 1 hydrogen bond donor(s) and 5 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 Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine?
The CAS number of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine is 799259-53-3.
What is the molecular formula of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine?
The molecular formula of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine is C16H16N2O2S.
What is the molecular weight of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine?
The molecular weight of Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine is 300.09 g/mol.
Where can I buy Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine?
You can request a quote for Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.