3,4,5-Trimethylbenzamide
TL;DR: 3,4,5-Trimethylbenzamide (CAS 4476-06-6) 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.
3,4,5-trimethylbenzamide
Also Known As: 3,4,5-Trimethylbenzamide, Benzamide, 3,4,5-trimethyl-, Benzamide,3,4,5-trimethyl-, Benzamide, 3,4,5-trimethyl- (8CI,9CI)
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 1.9 |
| 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 | 4476-06-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)C(=O)N |
| InChIKey | SCBZIISKRAIMBW-UHFFFAOYSA-N |
Product Overview
3,4,5-Trimethylbenzamide (CAS 4476-06-6), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3,4,5-trimethylbenzamide.
Chemical Property Profile of 3,4,5-Trimethylbenzamide
Property Insights of 3,4,5-Trimethylbenzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethylbenzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 3,4,5-Trimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-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 3,4,5-Trimethylbenzamide?
The CAS number of 3,4,5-Trimethylbenzamide is 4476-06-6.
What is the molecular formula of 3,4,5-Trimethylbenzamide?
The molecular formula of 3,4,5-Trimethylbenzamide is C10H13NO.
What is the molecular weight of 3,4,5-Trimethylbenzamide?
The molecular weight of 3,4,5-Trimethylbenzamide is 163.10 g/mol.
Where can I buy 3,4,5-Trimethylbenzamide?
You can request a quote for 3,4,5-Trimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.