N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine
TL;DR: N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine (CAS 714207-27-9) is a chemical compound with molecular formula C14H10ClFN2S and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
Also Known As: AN-465/42767432, N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine, N-(2-chloro-6-fluorobenzyl)-1,3-benzothiazol-2-amine, N-[(2-chloro-6-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
| Molecular Formula | C14H10ClFN2S |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 4.7009 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0237 |
| Heavy Atoms | 19 |
| Complexity | 673.0427 |
Chemical Identifiers
| CAS Number | 714207-27-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NCC3=C(C=CC=C3Cl)F |
Product Overview
N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine (CAS 714207-27-9), with molecular formula C14H10ClFN2S and molecular weight 292.02 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine
Property Insights of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine
The XLogP value of 4.7009 indicates that N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)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-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine has 1 hydrogen bond donor(s) and 3 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 N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine?
The CAS number of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine is 714207-27-9.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine?
The molecular formula of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine is C14H10ClFN2S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine?
The molecular weight of N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine is 292.02 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine?
You can request a quote for N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-N-(2-chloro-6-fluorobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.