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N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide
TL;DR: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide (CAS 431939-96-7) is a chemical compound with molecular formula C21H15IN2O2 and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide
Also Known As: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide, AB00118594-01, N-(3-benzooxazol-2-yl-2-methyl-phenyl)-2-iodo-benzamide
| Molecular Formula | C21H15IN2O2 |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 5.66012 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.01782 |
| Heavy Atoms | 26 |
| Complexity | 1084.9122 |
Chemical Identifiers
| CAS Number | 431939-96-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2I)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide (CAS 431939-96-7), with molecular formula C21H15IN2O2 and molecular weight 454.02 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide.
Chemical Property Profile of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide
Property Insights of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide
The XLogP value of 5.66012 indicates that N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-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-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide?
The CAS number of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide is 431939-96-7.
What is the molecular formula of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide?
The molecular formula of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide is C21H15IN2O2.
What is the molecular weight of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide?
The molecular weight of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide is 454.02 g/mol.
Where can I buy N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide?
You can request a quote for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide 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-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.