![N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide structure](/static/products/5995/59953-57-0.webp)
N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
TL;DR: N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide (CAS 59953-57-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
Also Known As: N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide, N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 59953-57-0 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)CC(C)NC(=O)C |
| InChIKey | GEQBCAUJFWFFDW-UHFFFAOYSA-N |
Product Overview
N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide (CAS 59953-57-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide.
Chemical Property Profile of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
Property Insights of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide. Following Lipinski's Rule of Five, N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide has 1 hydrogen bond donor(s) and 3 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-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide?
The CAS number of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide is 59953-57-0.
What is the molecular formula of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide?
The molecular formula of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide is C12H15NO3.
What is the molecular weight of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide?
The molecular weight of N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide is 221.11 g/mol.
Where can I buy N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide?
You can request a quote for N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-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-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.