![N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide structure](/static/products/3321/33213-01-3.webp)
N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide
TL;DR: N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide (CAS 33213-01-3) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
Also Known As: N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide, N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 33213-01-3 |
|---|---|
| SMILES | CC1=CC(=C2C(CC2=C1)NC(=O)C)C |
| InChIKey | NAHHLWNZOCYWSX-UHFFFAOYSA-N |
Product Overview
N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide (CAS 33213-01-3), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide.
Chemical Property Profile of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide
Property Insights of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide 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-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide?
The CAS number of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide is 33213-01-3.
What is the molecular formula of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide?
The molecular formula of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide is C12H15NO.
What is the molecular weight of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide?
The molecular weight of N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide is 189.12 g/mol.
Where can I buy N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide?
You can request a quote for N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.