3,4-二甲基苯甲酰胺
TL;DR: 3,4-二甲基苯甲酰胺 (CAS 5580-33-6) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲基苯甲酰胺
3,4-dimethylbenzamide
Also Known As: 3,4-DIMETHYLBENZAMIDE, N-Methyl-p-toluamide, Benzamide, 3,4-dimethyl-, 3.4-Dimethylbenzamid, 3,4-dimethyl-benzamide
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 5580-33-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N)C |
| InChIKey | INGCXEIJXKQPJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲基苯甲酰胺 (CAS 5580-33-6), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 3,4-dimethylbenzamide.
Chemical Property Profile of 3,4-二甲基苯甲酰胺
Property Insights of 3,4-二甲基苯甲酰胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲基苯甲酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 3,4-二甲基苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲基苯甲酰胺 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 3,4-二甲基苯甲酰胺?
The CAS number of 3,4-二甲基苯甲酰胺 is 5580-33-6.
What is the molecular formula of 3,4-二甲基苯甲酰胺?
The molecular formula of 3,4-二甲基苯甲酰胺 is C9H11NO.
What is the molecular weight of 3,4-二甲基苯甲酰胺?
The molecular weight of 3,4-二甲基苯甲酰胺 is 149.08 g/mol.
Where can I buy 3,4-二甲基苯甲酰胺?
You can request a quote for 3,4-二甲基苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲基苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲基苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.