![N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide structure](/static/products/3319/331971-75-6.webp)
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
TL;DR: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide (CAS 331971-75-6) is a chemical compound with molecular formula C21H14ClIN2OS and molecular weight 503.96 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]-2-chloro-5-iodobenzamide
Also Known As: BAS 00718573, N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide, N-(5-Benzothiazol-2-yl-2-methyl-phenyl)-2-chloro-5-iodo-benzamide
| Molecular Formula | C21H14ClIN2OS |
|---|---|
| Molecular Weight | 503.96 g/mol |
| LogP | 6.78202 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.95602 |
| Heavy Atoms | 27 |
| Complexity | 1139.0304 |
Chemical Identifiers
| CAS Number | 331971-75-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)I)Cl |
Product Overview
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide (CAS 331971-75-6), with molecular formula C21H14ClIN2OS and molecular weight 503.96 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide.
Chemical Property Profile of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
Property Insights of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
The XLogP value of 6.78202 indicates that N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide 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]-2-chloro-5-iodobenzamide 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]-2-chloro-5-iodobenzamide 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]-2-chloro-5-iodobenzamide?
The CAS number of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide is 331971-75-6.
What is the molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide?
The molecular formula of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide is C21H14ClIN2OS.
What is the molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide?
The molecular weight of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide is 503.96 g/mol.
Where can I buy N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide?
You can request a quote for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide 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]-2-chloro-5-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.