N,N-Dibutyl-2-methyl-benzamide
TL;DR: N,N-Dibutyl-2-methyl-benzamide (CAS 7539-03-9) is a chemical compound with molecular formula C16H25NO and molecular weight 247.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-2-methylbenzamide
Also Known As: n,n-dibutyl-2-methylbenzamide, N,N-DIBUTYL-2-METHYL-BENZAMIDE, Benzamide,4-methyl-N,N-dipropyl, Benzamide,n,n-dibutyl-2-methyl-, Benzamide, 2-methyl-N,N-di(butyl)-
| Molecular Formula | C16H25NO |
|---|---|
| Molecular Weight | 247.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.19362 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 7539-03-9 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)C1=CC=CC=C1C |
| InChIKey | WCIGOPWNVVZWOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dibutyl-2-methyl-benzamide (CAS 7539-03-9), with molecular formula C16H25NO and molecular weight 247.19 g/mol. IUPAC: N,N-dibutyl-2-methylbenzamide.
Chemical Property Profile of N,N-Dibutyl-2-methyl-benzamide
Property Insights of N,N-Dibutyl-2-methyl-benzamide
The XLogP value of 4.9 indicates that N,N-Dibutyl-2-methyl-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, N,N-Dibutyl-2-methyl-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dibutyl-2-methyl-benzamide has 0 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,N-Dibutyl-2-methyl-benzamide?
The CAS number of N,N-Dibutyl-2-methyl-benzamide is 7539-03-9.
What is the molecular formula of N,N-Dibutyl-2-methyl-benzamide?
The molecular formula of N,N-Dibutyl-2-methyl-benzamide is C16H25NO.
What is the molecular weight of N,N-Dibutyl-2-methyl-benzamide?
The molecular weight of N,N-Dibutyl-2-methyl-benzamide is 247.19 g/mol.
Where can I buy N,N-Dibutyl-2-methyl-benzamide?
You can request a quote for N,N-Dibutyl-2-methyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dibutyl-2-methyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibutyl-2-methyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.