p-Isobutyrotoluidide
TL;DR: p-Isobutyrotoluidide (CAS 6876-49-9) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(4-methylphenyl)propanamide
Also Known As: p-Isobutyrotoluidide, 2-methyl-N-(4-methylphenyl)propanamide, N-(p-tolyl)isobutyramide, ChemDiv2_000207, N-(4-Methylphenyl)-2-methylpropanamide
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6876-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(C)C |
| InChIKey | VPMVBBCZQOSGBS-UHFFFAOYSA-N |
Product Overview
p-Isobutyrotoluidide (CAS 6876-49-9), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 2-methyl-N-(4-methylphenyl)propanamide.
Chemical Property Profile of p-Isobutyrotoluidide
Property Insights of p-Isobutyrotoluidide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Isobutyrotoluidide. With a topological polar surface area (TPSA) of 29.1 Ų, p-Isobutyrotoluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Isobutyrotoluidide 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 p-Isobutyrotoluidide?
The CAS number of p-Isobutyrotoluidide is 6876-49-9.
What is the molecular formula of p-Isobutyrotoluidide?
The molecular formula of p-Isobutyrotoluidide is C11H15NO.
What is the molecular weight of p-Isobutyrotoluidide?
The molecular weight of p-Isobutyrotoluidide is 177.12 g/mol.
Where can I buy p-Isobutyrotoluidide?
You can request a quote for p-Isobutyrotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Isobutyrotoluidide?
Yes, KEHONG BIO provides custom synthesis services for p-Isobutyrotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.