![N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide structure](/static/products/3259/325988-61-2.webp)
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide (CAS 325988-61-2) is a chemical compound with molecular formula C22H16BrFN2OS2 and molecular weight 485.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide, AB00667164-01, F0289-0426, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-bromo-2-fluorobenzamide, N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-bromo-2-fluoro-benzamide
| Molecular Formula | C22H16BrFN2OS2 |
|---|---|
| Molecular Weight | 485.99 g/mol |
| LogP | 7.0575 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.98715 |
| Heavy Atoms | 29 |
| Complexity | 1214.075 |
Chemical Identifiers
| CAS Number | 325988-61-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Br)F)C4=NC5=CC=CC=C5S4 |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide (CAS 325988-61-2), with molecular formula C22H16BrFN2OS2 and molecular weight 485.99 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide
The XLogP value of 7.0575 indicates that N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide 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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide is 325988-61-2.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide is C22H16BrFN2OS2.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide is 485.99 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide 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)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromo-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.