2,4,6-Trimethylbenzamide
TL;DR: 2,4,6-Trimethylbenzamide (CAS 4431-42-9) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzamide
Also Known As: 2,4,6-trimethylbenzamide, 2,4,6-Trimethyl-benzamide, Isopedicin, 2.4.6-Trimethylbenzamid, 2,4,6-trimethylbenzenamide
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 4431-42-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)N)C |
| InChIKey | QQAUZRKAWHZNCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethylbenzamide (CAS 4431-42-9), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 2,4,6-trimethylbenzamide.
Chemical Property Profile of 2,4,6-Trimethylbenzamide
Property Insights of 2,4,6-Trimethylbenzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 2,4,6-Trimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzamide 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 2,4,6-Trimethylbenzamide?
The CAS number of 2,4,6-Trimethylbenzamide is 4431-42-9.
What is the molecular formula of 2,4,6-Trimethylbenzamide?
The molecular formula of 2,4,6-Trimethylbenzamide is C10H13NO.
What is the molecular weight of 2,4,6-Trimethylbenzamide?
The molecular weight of 2,4,6-Trimethylbenzamide is 163.10 g/mol.
Where can I buy 2,4,6-Trimethylbenzamide?
You can request a quote for 2,4,6-Trimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.