4-Tert-butyl-N-isobutylbenzamide
TL;DR: 4-Tert-butyl-N-isobutylbenzamide (CAS 70772-61-1) is a chemical compound with molecular formula C15H23NO and molecular weight 233.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(2-methylpropyl)benzamide
Also Known As: 4-tert-butyl-N-isobutylbenzamide, 4-tert-butyl-N-(2-methylpropyl)benzamide, AN-652/11663876, [4-(tert-butyl)phenyl]-N-(2-methylpropyl)carboxamide, 657-502-3
| Molecular Formula | C15H23NO |
|---|---|
| Molecular Weight | 233.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.17796 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 70772-61-1 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | MEHAOUKZKMUZMN-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-N-isobutylbenzamide (CAS 70772-61-1), with molecular formula C15H23NO and molecular weight 233.18 g/mol. IUPAC: 4-tert-butyl-N-(2-methylpropyl)benzamide.
Chemical Property Profile of 4-Tert-butyl-N-isobutylbenzamide
Property Insights of 4-Tert-butyl-N-isobutylbenzamide
The XLogP value of 4.2 indicates that 4-Tert-butyl-N-isobutylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Tert-butyl-N-isobutylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-N-isobutylbenzamide 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 4-Tert-butyl-N-isobutylbenzamide?
The CAS number of 4-Tert-butyl-N-isobutylbenzamide is 70772-61-1.
What is the molecular formula of 4-Tert-butyl-N-isobutylbenzamide?
The molecular formula of 4-Tert-butyl-N-isobutylbenzamide is C15H23NO.
What is the molecular weight of 4-Tert-butyl-N-isobutylbenzamide?
The molecular weight of 4-Tert-butyl-N-isobutylbenzamide is 233.18 g/mol.
Where can I buy 4-Tert-butyl-N-isobutylbenzamide?
You can request a quote for 4-Tert-butyl-N-isobutylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-N-isobutylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-N-isobutylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.