![2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide structure](/static/products/4000/400076-35-9.webp)
2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide
TL;DR: 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide (CAS 400076-35-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethylpropanoylamino) 4-methylbenzoate
Also Known As: (2,2-dimethylpropanoylamino) 4-methylbenzoate, 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide, 2,2-dimethylpropanamido 4-methylbenzoate, 12A-063
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.22912 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 415.28586 |
Chemical Identifiers
| CAS Number | 400076-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ONC(=O)C(C)(C)C |
Product Overview
2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide (CAS 400076-35-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2,2-dimethylpropanoylamino) 4-methylbenzoate.
Chemical Property Profile of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide
Property Insights of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide
The XLogP value of 2.22912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide. With a topological polar surface area (TPSA) of 55.4 Ų, 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide 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 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide?
The CAS number of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide is 400076-35-9.
What is the molecular formula of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide?
The molecular formula of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide is C13H17NO3.
What is the molecular weight of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide?
The molecular weight of 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide is 235.12 g/mol.
Where can I buy 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide?
You can request a quote for 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-[(4-methylbenzoyl)oxy]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.