N-tert-butyl-3-iodobenzamide
TL;DR: N-tert-butyl-3-iodobenzamide (CAS 42498-37-3) is a chemical compound with molecular formula C11H14INO and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-iodobenzamide
Also Known As: N-tert-butyl-3-iodobenzamide, N-(tert-Butyl)-3-iodobenzamide, N-tert-butyl-3-iodo-benzamide, N-(1,1-Dimethylethyl)-3-iodobenzamide, N-(tert-Butyl)-3-iodobenzamide #
| Molecular Formula | C11H14INO |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.01202 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 42498-37-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC(=CC=C1)I |
| InChIKey | ZMJJGZOPZYWWKQ-UHFFFAOYSA-N |
Product Overview
N-tert-butyl-3-iodobenzamide (CAS 42498-37-3), with molecular formula C11H14INO and molecular weight 303.01 g/mol. IUPAC: N-tert-butyl-3-iodobenzamide.
Chemical Property Profile of N-tert-butyl-3-iodobenzamide
Property Insights of N-tert-butyl-3-iodobenzamide
The XLogP value of 3.9 indicates that N-tert-butyl-3-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-butyl-3-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3-iodobenzamide has 1 hydrogen bond donor(s) and 1 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-tert-butyl-3-iodobenzamide?
The CAS number of N-tert-butyl-3-iodobenzamide is 42498-37-3.
What is the molecular formula of N-tert-butyl-3-iodobenzamide?
The molecular formula of N-tert-butyl-3-iodobenzamide is C11H14INO.
What is the molecular weight of N-tert-butyl-3-iodobenzamide?
The molecular weight of N-tert-butyl-3-iodobenzamide is 303.01 g/mol.
Where can I buy N-tert-butyl-3-iodobenzamide?
You can request a quote for N-tert-butyl-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.