![N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide structure](/static/products/3134/313401-50-2.webp)
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
TL;DR: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide (CAS 313401-50-2) is a chemical compound with molecular formula C21H14BrClN2OS and molecular weight 455.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
Also Known As: BAS 00858515, N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide, N-(5-Benzothiazol-2-yl-2-methyl-phenyl)-5-bromo-2-chloro-benzamide
| Molecular Formula | C21H14BrClN2OS |
|---|---|
| Molecular Weight | 455.97 g/mol |
| LogP | 6.93992 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.96988 |
| Heavy Atoms | 27 |
| Complexity | 1139.0304 |
Chemical Identifiers
| CAS Number | 313401-50-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)Br)Cl |
Product Overview
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide (CAS 313401-50-2), with molecular formula C21H14BrClN2OS and molecular weight 455.97 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide.
Chemical Property Profile of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
Property Insights of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide
The XLogP value of 6.93992 indicates that N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide 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-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide 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-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide?
The CAS number of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide is 313401-50-2.
What is the molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide?
The molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide is C21H14BrClN2OS.
What is the molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide?
The molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide is 455.97 g/mol.
Where can I buy N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide?
You can request a quote for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-bromo-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.