N-tert-Butyl-4-methylbenzamide
TL;DR: N-tert-Butyl-4-methylbenzamide (CAS 42498-32-8) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-methylbenzamide
Also Known As: N-tert-Butyl-4-methylbenzamide, N-(tert-Butyl)-4-methylbenzamide, N- -4-methylbenzamide, n-t-butyl-4-methylbenzamide, N-tert-butyl 4-methylbenzamide
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 42498-32-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C)(C)C |
| InChIKey | BHVOUXZTZXPBQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Butyl-4-methylbenzamide (CAS 42498-32-8), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-tert-butyl-4-methylbenzamide.
Chemical Property Profile of N-tert-Butyl-4-methylbenzamide
Property Insights of N-tert-Butyl-4-methylbenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butyl-4-methylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-Butyl-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butyl-4-methylbenzamide 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-4-methylbenzamide?
The CAS number of N-tert-Butyl-4-methylbenzamide is 42498-32-8.
What is the molecular formula of N-tert-Butyl-4-methylbenzamide?
The molecular formula of N-tert-Butyl-4-methylbenzamide is C12H17NO.
What is the molecular weight of N-tert-Butyl-4-methylbenzamide?
The molecular weight of N-tert-Butyl-4-methylbenzamide is 191.13 g/mol.
Where can I buy N-tert-Butyl-4-methylbenzamide?
You can request a quote for N-tert-Butyl-4-methylbenzamide 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-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.