N,N-Dibutyl-3-oxobutanamide
TL;DR: N,N-Dibutyl-3-oxobutanamide (CAS 7661-07-6) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-3-oxobutanamide
Also Known As: n,n-dibutyl-3-oxobutanamide, n,n-dibutylacetoacetamide, N,N-dibutyl-acetoacetamide, N,N-dibutyl 3-oxo-butanamide, N,N-Di-n-butylacetoacetamid
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 7661-07-6 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CC(=O)C |
| InChIKey | QYIYWUBFHJEWPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dibutyl-3-oxobutanamide (CAS 7661-07-6), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: N,N-dibutyl-3-oxobutanamide.
Chemical Property Profile of N,N-Dibutyl-3-oxobutanamide
Property Insights of N,N-Dibutyl-3-oxobutanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dibutyl-3-oxobutanamide. With a topological polar surface area (TPSA) of 37.4 Ų, N,N-Dibutyl-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dibutyl-3-oxobutanamide has 0 hydrogen bond donor(s) and 2 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-3-oxobutanamide?
The CAS number of N,N-Dibutyl-3-oxobutanamide is 7661-07-6.
What is the molecular formula of N,N-Dibutyl-3-oxobutanamide?
The molecular formula of N,N-Dibutyl-3-oxobutanamide is C12H23NO2.
What is the molecular weight of N,N-Dibutyl-3-oxobutanamide?
The molecular weight of N,N-Dibutyl-3-oxobutanamide is 213.17 g/mol.
Where can I buy N,N-Dibutyl-3-oxobutanamide?
You can request a quote for N,N-Dibutyl-3-oxobutanamide 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-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibutyl-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.