N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide
TL;DR: N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide (CAS 33213-03-5) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 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)butanamide
Also Known As: N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide, (+-)-1-Butyrylamino-4,6-dimethyl-benzocyclobuten, N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)butanamide, N-(3,5-Dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)butanamide, N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)butanamid
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 33213-03-5 |
|---|---|
| SMILES | CCCC(=O)NC1CC2=CC(=CC(=C12)C)C |
| InChIKey | PXBXGZUVSPDXTQ-UHFFFAOYSA-N |
Product Overview
N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide (CAS 33213-03-5), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: N-(3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)butanamide.
Chemical Property Profile of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide
Property Insights of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide. 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)butanamide 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)butanamide 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)butanamide?
The CAS number of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide is 33213-03-5.
What is the molecular formula of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide?
The molecular formula of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide is C14H19NO.
What is the molecular weight of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide?
The molecular weight of N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide is 217.15 g/mol.
Where can I buy N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide?
You can request a quote for N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide 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)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Dimethylbicyclo(4.2.0)octa-1,3,5-trien-7-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.